5-(dimethylamino)-4-methyl-N-prop-2-enyl-1,2,4-triazole-3-carboxamide

C9H15N5O — CID 14772863

IUPAC5-(dimethylamino)-4-methyl-N-prop-2-enyl-1,2,4-triazole-3-carboxamide
SMILESC=CCNC(=O)c1nnc(N(C)C)n1C
InChIInChI=1S/C9H15N5O/c1-5-6-10-8(15)7-11-12-9(13(2)3)14(7)4/h5H,1,6H2,2-4H3,(H,10,15)
InChIKeyBLAZAEBSUBHBAR-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.20
Rot. Bonds4

About 5-(dimethylamino)-4-methyl-N-prop-2-enyl-1,2,4-triazole-3-carboxamide

5-(dimethylamino)-4-methyl-N-prop-2-enyl-1,2,4-triazole-3-carboxamide (PubChem CID 14772863) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-(dimethylamino)-4-methyl-N-prop-2-enyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-(dimethylamino)-4-methyl-N-prop-2-enyl-1,2,4-triazole-3-carboxamide
PubChem CID14772863
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name5-(dimethylamino)-4-methyl-N-prop-2-enyl-1,2,4-triazole-3-carboxamide
SMILESC=CCNC(=O)c1nnc(N(C)C)n1C
InChIInChI=1S/C9H15N5O/c1-5-6-10-8(15)7-11-12-9(13(2)3)14(7)4/h5H,1,6H2,2-4H3,(H,10,15)
InChIKeyBLAZAEBSUBHBAR-UHFFFAOYSA-N
XLogP-0.20
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-4-methyl-N-prop-2-enyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-(dimethylamino)-4-methyl-N-prop-2-enyl-1,2,4-triazole-3-carboxamide (CID 14772863) is 5-(dimethylamino)-4-methyl-N-prop-2-enyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-(dimethylamino)-4-methyl-N-prop-2-enyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-(dimethylamino)-4-methyl-N-prop-2-enyl-1,2,4-triazole-3-carboxamide is C=CCNC(=O)c1nnc(N(C)C)n1C.
What is the InChIKey of 5-(dimethylamino)-4-methyl-N-prop-2-enyl-1,2,4-triazole-3-carboxamide?
The InChIKey is BLAZAEBSUBHBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-5-6-10-8(15)7-11-12-9(13(2)3)14(7)4/h5H,1,6H2,2-4H3,(H,10,15).
What are the key properties of 5-(dimethylamino)-4-methyl-N-prop-2-enyl-1,2,4-triazole-3-carboxamide?
5-(dimethylamino)-4-methyl-N-prop-2-enyl-1,2,4-triazole-3-carboxamide has a molecular weight of 209.25 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-4-methyl-N-prop-2-enyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 14772863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).