1-(propan-2-ylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carbonitrile

C11H17N5S — CID 79649897

IUPAC1-(propan-2-ylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carbonitrile
SMILESCC(C)NC1(C#N)CCC(Sc2ncn[nH]2)C1
InChIInChI=1S/C11H17N5S/c1-8(2)15-11(6-12)4-3-9(5-11)17-10-13-7-14-16-10/h7-9,15H,3-5H2,1-2H3,(H,13,14,16)
InChIKeySBLRQWRNQNCCIB-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.71
Rot. Bonds4

About 1-(propan-2-ylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carbonitrile

1-(propan-2-ylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carbonitrile (PubChem CID 79649897) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carbonitrile
PubChem CID79649897
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name1-(propan-2-ylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carbonitrile
SMILESCC(C)NC1(C#N)CCC(Sc2ncn[nH]2)C1
InChIInChI=1S/C11H17N5S/c1-8(2)15-11(6-12)4-3-9(5-11)17-10-13-7-14-16-10/h7-9,15H,3-5H2,1-2H3,(H,13,14,16)
InChIKeySBLRQWRNQNCCIB-UHFFFAOYSA-N
XLogP1.71
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexane-1-carbonitrile
CID 79636630
3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79649601
3-(1-methylpyrazol-4-yl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79649828
1-(propan-2-ylamino)-3-(4-propan-2-ylphenyl)sulfanylcyclopentane-1-carbonitrile
CID 79644862
3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79650379
3-[(5-oxo-4-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79644897
1-(methylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carboxylic acid
CID 79654001
3-[(5-chloro-2-pyridinyl)sulfanyl]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79636334
3-(1-methyltetrazol-5-yl)sulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79636012
1-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexane-1-carboxamide
CID 79634964
3-(3-hydroxybutan-2-ylsulfanyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 107771668
3-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79626275

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(propan-2-ylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carbonitrile (CID 79649897) is 1-(propan-2-ylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(propan-2-ylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(propan-2-ylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carbonitrile is CC(C)NC1(C#N)CCC(Sc2ncn[nH]2)C1.
What is the InChIKey of 1-(propan-2-ylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carbonitrile?
The InChIKey is SBLRQWRNQNCCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-8(2)15-11(6-12)4-3-9(5-11)17-10-13-7-14-16-10/h7-9,15H,3-5H2,1-2H3,(H,13,14,16).
What are the key properties of 1-(propan-2-ylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carbonitrile?
1-(propan-2-ylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carbonitrile has a molecular weight of 251.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79649897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).