4-methyl-5-(methylamino)-N-propan-2-yl-1,2,4-triazole-3-carboxamide

C8H15N5O — CID 14852971

IUPAC4-methyl-5-(methylamino)-N-propan-2-yl-1,2,4-triazole-3-carboxamide
SMILESCNc1nnc(C(=O)NC(C)C)n1C
InChIInChI=1S/C8H15N5O/c1-5(2)10-7(14)6-11-12-8(9-3)13(6)4/h5H,1-4H3,(H,9,12)(H,10,14)
InChIKeyGHQHIWRAQPMDSR-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.00
Rot. Bonds3

About 4-methyl-5-(methylamino)-N-propan-2-yl-1,2,4-triazole-3-carboxamide

4-methyl-5-(methylamino)-N-propan-2-yl-1,2,4-triazole-3-carboxamide (PubChem CID 14852971) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-methyl-5-(methylamino)-N-propan-2-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-5-(methylamino)-N-propan-2-yl-1,2,4-triazole-3-carboxamide
PubChem CID14852971
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name4-methyl-5-(methylamino)-N-propan-2-yl-1,2,4-triazole-3-carboxamide
SMILESCNc1nnc(C(=O)NC(C)C)n1C
InChIInChI=1S/C8H15N5O/c1-5(2)10-7(14)6-11-12-8(9-3)13(6)4/h5H,1-4H3,(H,9,12)(H,10,14)
InChIKeyGHQHIWRAQPMDSR-UHFFFAOYSA-N
XLogP-0.00
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 120812713
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CID 16389804
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CID 72150609
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CID 592634
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CID 14772863
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CID 14772864
CID 14772864
CID 14772884
CID 14772884
CID 14772885
CID 14772885

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(methylamino)-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 4-methyl-5-(methylamino)-N-propan-2-yl-1,2,4-triazole-3-carboxamide (CID 14852971) is 4-methyl-5-(methylamino)-N-propan-2-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 4-methyl-5-(methylamino)-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 4-methyl-5-(methylamino)-N-propan-2-yl-1,2,4-triazole-3-carboxamide is CNc1nnc(C(=O)NC(C)C)n1C.
What is the InChIKey of 4-methyl-5-(methylamino)-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is GHQHIWRAQPMDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-5(2)10-7(14)6-11-12-8(9-3)13(6)4/h5H,1-4H3,(H,9,12)(H,10,14).
What are the key properties of 4-methyl-5-(methylamino)-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
4-methyl-5-(methylamino)-N-propan-2-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 197.24 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(methylamino)-N-propan-2-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 14852971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).