N-ethyl-1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine

C11H18N6S — CID 55044714

IUPACN-ethyl-1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine
SMILESCCNc1c(CSc2n[nH]c(C)n2)c(C)nn1C
InChIInChI=1S/C11H18N6S/c1-5-12-10-9(7(2)16-17(10)4)6-18-11-13-8(3)14-15-11/h12H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyMKFZXKUGBALKPG-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.88
Rot. Bonds5

About N-ethyl-1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine

N-ethyl-1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine (PubChem CID 55044714) has the molecular formula C11H18N6S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-ethyl-1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine.

Molecular Properties

Compound NameN-ethyl-1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine
PubChem CID55044714
Molecular FormulaC11H18N6S
Molecular Weight266.37 g/mol
Exact Mass266.13
IUPAC NameN-ethyl-1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine
SMILESCCNc1c(CSc2n[nH]c(C)n2)c(C)nn1C
InChIInChI=1S/C11H18N6S/c1-5-12-10-9(7(2)16-17(10)4)6-18-11-13-8(3)14-15-11/h12H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyMKFZXKUGBALKPG-UHFFFAOYSA-N
XLogP1.88
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine?
The IUPAC name of N-ethyl-1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine (CID 55044714) is N-ethyl-1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine.
What is the SMILES notation for N-ethyl-1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine?
The canonical SMILES for N-ethyl-1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine is CCNc1c(CSc2n[nH]c(C)n2)c(C)nn1C.
What is the InChIKey of N-ethyl-1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine?
The InChIKey is MKFZXKUGBALKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6S/c1-5-12-10-9(7(2)16-17(10)4)6-18-11-13-8(3)14-15-11/h12H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of N-ethyl-1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine?
N-ethyl-1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine has a molecular weight of 266.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,3-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazol-5-amine is sourced from PubChem (CID 55044714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).