6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-7H-purin-2-amine

C11H14N8S — CID 114788474

IUPAC6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-7H-purin-2-amine
SMILESCCCNc1nc(Sc2ncnn2C)c2[nH]cnc2n1
InChIInChI=1S/C11H14N8S/c1-3-4-12-10-17-8-7(13-5-14-8)9(18-10)20-11-15-6-16-19(11)2/h5-6H,3-4H2,1-2H3,(H2,12,13,14,17,18)
InChIKeyPIGYIGNZHOFAOT-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.45
Rot. Bonds5

About 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-7H-purin-2-amine

6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-7H-purin-2-amine (PubChem CID 114788474) has the molecular formula C11H14N8S and a molecular weight of 290.36 g/mol. Its IUPAC name is 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-7H-purin-2-amine
PubChem CID114788474
Molecular FormulaC11H14N8S
Molecular Weight290.36 g/mol
Exact Mass290.11
IUPAC Name6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-7H-purin-2-amine
SMILESCCCNc1nc(Sc2ncnn2C)c2[nH]cnc2n1
InChIInChI=1S/C11H14N8S/c1-3-4-12-10-17-8-7(13-5-14-8)9(18-10)20-11-15-6-16-19(11)2/h5-6H,3-4H2,1-2H3,(H2,12,13,14,17,18)
InChIKeyPIGYIGNZHOFAOT-UHFFFAOYSA-N
XLogP1.45
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-7H-purin-2-amine
CID 114788229
2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-7H-purine
CID 104787572
5-bromo-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 113432001
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
5-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 104604989
6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114784070
6-N-(2-methylbutan-2-yl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783401
6-N-methyl-6-N-(2-methylsulfanylethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114786012
6-propan-2-yloxy-N-propyl-7H-purin-2-amine
CID 114786891
6-N-(2-methylpropyl)-6-N-propan-2-yl-2-N-propyl-7H-purine-2,6-diamine
CID 114784631
6-(4-chloropyrazol-1-yl)-N-propyl-7H-purin-2-amine
CID 114786663
6-N-[(2-methylthiolan-2-yl)methyl]-2-N-propyl-7H-purine-2,6-diamine
CID 114785722

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-7H-purin-2-amine?
The IUPAC name of 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-7H-purin-2-amine (CID 114788474) is 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-7H-purin-2-amine.
What is the SMILES notation for 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-7H-purin-2-amine?
The canonical SMILES for 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-7H-purin-2-amine is CCCNc1nc(Sc2ncnn2C)c2[nH]cnc2n1.
What is the InChIKey of 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-7H-purin-2-amine?
The InChIKey is PIGYIGNZHOFAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N8S/c1-3-4-12-10-17-8-7(13-5-14-8)9(18-10)20-11-15-6-16-19(11)2/h5-6H,3-4H2,1-2H3,(H2,12,13,14,17,18).
What are the key properties of 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-7H-purin-2-amine?
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-7H-purin-2-amine has a molecular weight of 290.36 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-7H-purin-2-amine is sourced from PubChem (CID 114788474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).