3-(3-amino-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropanamide

C8H15N5O — CID 91704688

IUPAC3-(3-amino-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCc1nc(N)n[nH]1
InChIInChI=1S/C8H15N5O/c1-5(2)10-7(14)4-3-6-11-8(9)13-12-6/h5H,3-4H2,1-2H3,(H,10,14)(H3,9,11,12,13)
InChIKeyUQSLTCICTHKARZ-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.16
Rot. Bonds4

About 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropanamide

3-(3-amino-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropanamide (PubChem CID 91704688) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(3-amino-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropanamide
PubChem CID91704688
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name3-(3-amino-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCc1nc(N)n[nH]1
InChIInChI=1S/C8H15N5O/c1-5(2)10-7(14)4-3-6-11-8(9)13-12-6/h5H,3-4H2,1-2H3,(H,10,14)(H3,9,11,12,13)
InChIKeyUQSLTCICTHKARZ-UHFFFAOYSA-N
XLogP-0.16
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropanamide (CID 91704688) is 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCc1nc(N)n[nH]1.
What is the InChIKey of 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropanamide?
The InChIKey is UQSLTCICTHKARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-5(2)10-7(14)4-3-6-11-8(9)13-12-6/h5H,3-4H2,1-2H3,(H,10,14)(H3,9,11,12,13).
What are the key properties of 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropanamide?
3-(3-amino-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropanamide has a molecular weight of 197.24 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 91704688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).