(6S)-2,6-diamino-4-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C17H17N7OS — CID 95477034

IUPAC(6S)-2,6-diamino-4-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCn1cnnc1Sc1ccc(-c2c(C#N)c(N)nc3c2C[C@@H](N)CC3)o1
InChIInChI=1S/C17H17N7OS/c1-24-8-21-23-17(24)26-14-5-4-13(25-14)15-10-6-9(19)2-3-12(10)22-16(20)11(15)7-18/h4-5,8-9H,2-3,6,19H2,1H3,(H2,20,22)/t9-/m0/s1
InChIKeyCDENKSMHSXBXBZ-VIFPVBQESA-N
MW367.44 g/mol
LogP1.89
Rot. Bonds3

About (6S)-2,6-diamino-4-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

(6S)-2,6-diamino-4-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 95477034) has the molecular formula C17H17N7OS and a molecular weight of 367.44 g/mol. Its IUPAC name is (6S)-2,6-diamino-4-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name(6S)-2,6-diamino-4-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID95477034
Molecular FormulaC17H17N7OS
Molecular Weight367.44 g/mol
Exact Mass367.12
IUPAC Name(6S)-2,6-diamino-4-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCn1cnnc1Sc1ccc(-c2c(C#N)c(N)nc3c2C[C@@H](N)CC3)o1
InChIInChI=1S/C17H17N7OS/c1-24-8-21-23-17(24)26-14-5-4-13(25-14)15-10-6-9(19)2-3-12(10)22-16(20)11(15)7-18/h4-5,8-9H,2-3,6,19H2,1H3,(H2,20,22)/t9-/m0/s1
InChIKeyCDENKSMHSXBXBZ-VIFPVBQESA-N
XLogP1.89
TPSA132.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (6S)-2,6-diamino-4-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

(6S)-2-amino-6-methyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 2020042
2,6-diamino-4-(4-chloro-1-methylindazol-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 56877753
(6R)-2,6-diamino-4-(1-methyl-3-phenylpyrazol-4-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 95402726
2-amino-6-tert-butyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3272817
2-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 5197809
2,6-diamino-4-(2,1,3-benzothiadiazol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 56861076
(6S)-2,6-diamino-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 95400703
2-amino-4-(5-methylfuran-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 2047114
2-amino-6-ethyl-4-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3252807
(6S)-2,6-diamino-4-[1-(2-methoxyphenyl)pyrazol-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 95557470
(6S)-2,6-diamino-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 95502462
acetic acid;2,6-diamino-4-(6-chloro-1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 171709057

Frequently Asked Questions

What is the IUPAC name of (6S)-2,6-diamino-4-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of (6S)-2,6-diamino-4-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 95477034) is (6S)-2,6-diamino-4-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for (6S)-2,6-diamino-4-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for (6S)-2,6-diamino-4-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is Cn1cnnc1Sc1ccc(-c2c(C#N)c(N)nc3c2C[C@@H](N)CC3)o1.
What is the InChIKey of (6S)-2,6-diamino-4-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is CDENKSMHSXBXBZ-VIFPVBQESA-N. The full InChI is InChI=1S/C17H17N7OS/c1-24-8-21-23-17(24)26-14-5-4-13(25-14)15-10-6-9(19)2-3-12(10)22-16(20)11(15)7-18/h4-5,8-9H,2-3,6,19H2,1H3,(H2,20,22)/t9-/m0/s1.
What are the key properties of (6S)-2,6-diamino-4-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
(6S)-2,6-diamino-4-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 367.44 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,6-diamino-4-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 95477034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).