1-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-propylpyrazol-4-amine

C10H16N6S — CID 66019898

IUPAC1-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(Sc2n[nH]c(C)n2)c1N
InChIInChI=1S/C10H16N6S/c1-4-5-7-8(11)9(16(3)15-7)17-10-12-6(2)13-14-10/h4-5,11H2,1-3H3,(H,12,13,14)
InChIKeyIPMXRBOGOXGWQV-UHFFFAOYSA-N
MW252.35 g/mol
LogP1.53
Rot. Bonds4

About 1-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-propylpyrazol-4-amine

1-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-propylpyrazol-4-amine (PubChem CID 66019898) has the molecular formula C10H16N6S and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-propylpyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-propylpyrazol-4-amine
PubChem CID66019898
Molecular FormulaC10H16N6S
Molecular Weight252.35 g/mol
Exact Mass252.12
IUPAC Name1-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(Sc2n[nH]c(C)n2)c1N
InChIInChI=1S/C10H16N6S/c1-4-5-7-8(11)9(16(3)15-7)17-10-12-6(2)13-14-10/h4-5,11H2,1-3H3,(H,12,13,14)
InChIKeyIPMXRBOGOXGWQV-UHFFFAOYSA-N
XLogP1.53
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-propylpyrazol-4-amine?
The IUPAC name of 1-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-propylpyrazol-4-amine (CID 66019898) is 1-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-propylpyrazol-4-amine.
What is the SMILES notation for 1-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-propylpyrazol-4-amine?
The canonical SMILES for 1-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-propylpyrazol-4-amine is CCCc1nn(C)c(Sc2n[nH]c(C)n2)c1N.
What is the InChIKey of 1-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-propylpyrazol-4-amine?
The InChIKey is IPMXRBOGOXGWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6S/c1-4-5-7-8(11)9(16(3)15-7)17-10-12-6(2)13-14-10/h4-5,11H2,1-3H3,(H,12,13,14).
What are the key properties of 1-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-propylpyrazol-4-amine?
1-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-propylpyrazol-4-amine has a molecular weight of 252.35 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-propylpyrazol-4-amine is sourced from PubChem (CID 66019898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).