3-amino-5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile

C9H11N7S — CID 103383493

IUPAC3-amino-5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile
SMILESCn1cnc(CCNc2snc(N)c2C#N)n1
InChIInChI=1S/C9H11N7S/c1-16-5-13-7(14-16)2-3-12-9-6(4-10)8(11)15-17-9/h5,12H,2-3H2,1H3,(H2,11,15)
InChIKeyBISGQPRLNXKYEA-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.38
Rot. Bonds4

About 3-amino-5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile

3-amino-5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile (PubChem CID 103383493) has the molecular formula C9H11N7S and a molecular weight of 249.30 g/mol. Its IUPAC name is 3-amino-5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile
PubChem CID103383493
Molecular FormulaC9H11N7S
Molecular Weight249.30 g/mol
Exact Mass249.08
IUPAC Name3-amino-5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile
SMILESCn1cnc(CCNc2snc(N)c2C#N)n1
InChIInChI=1S/C9H11N7S/c1-16-5-13-7(14-16)2-3-12-9-6(4-10)8(11)15-17-9/h5,12H,2-3H2,1H3,(H2,11,15)
InChIKeyBISGQPRLNXKYEA-UHFFFAOYSA-N
XLogP0.38
TPSA105.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile (CID 103383493) is 3-amino-5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile is Cn1cnc(CCNc2snc(N)c2C#N)n1.
What is the InChIKey of 3-amino-5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile?
The InChIKey is BISGQPRLNXKYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7S/c1-16-5-13-7(14-16)2-3-12-9-6(4-10)8(11)15-17-9/h5,12H,2-3H2,1H3,(H2,11,15).
What are the key properties of 3-amino-5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile?
3-amino-5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile has a molecular weight of 249.30 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103383493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).