3-amino-N-[3-(dimethylamino)-3-oxopropyl]-1H-1,2,4-triazole-5-carboxamide

C8H14N6O2 — CID 62807198

IUPAC3-amino-N-[3-(dimethylamino)-3-oxopropyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCN(C)C(=O)CCNC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C8H14N6O2/c1-14(2)5(15)3-4-10-7(16)6-11-8(9)13-12-6/h3-4H2,1-2H3,(H,10,16)(H3,9,11,12,13)
InChIKeyWUDTUJUNAZJSSX-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.40
Rot. Bonds4

About 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[3-(dimethylamino)-3-oxopropyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62807198) has the molecular formula C8H14N6O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(dimethylamino)-3-oxopropyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID62807198
Molecular FormulaC8H14N6O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name3-amino-N-[3-(dimethylamino)-3-oxopropyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCN(C)C(=O)CCNC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C8H14N6O2/c1-14(2)5(15)3-4-10-7(16)6-11-8(9)13-12-6/h3-4H2,1-2H3,(H,10,16)(H3,9,11,12,13)
InChIKeyWUDTUJUNAZJSSX-UHFFFAOYSA-N
XLogP-1.40
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-1H-1,2,4-triazole-5-carboxamide (CID 62807198) is 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-1H-1,2,4-triazole-5-carboxamide is CN(C)C(=O)CCNC(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is WUDTUJUNAZJSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O2/c1-14(2)5(15)3-4-10-7(16)6-11-8(9)13-12-6/h3-4H2,1-2H3,(H,10,16)(H3,9,11,12,13).
What are the key properties of 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[3-(dimethylamino)-3-oxopropyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 226.24 g/mol, XLogP of -1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62807198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).