N-[1-(dimethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide

C8H13N5O2 — CID 112733461

IUPACN-[1-(dimethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]n1)C(=O)N(C)C
InChIInChI=1S/C8H13N5O2/c1-5(8(15)13(2)3)10-7(14)6-4-9-12-11-6/h4-5H,1-3H3,(H,10,14)(H,9,11,12)
InChIKeyAMBKSFROSHBYIU-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.99
Rot. Bonds3

About N-[1-(dimethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide

N-[1-(dimethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide (PubChem CID 112733461) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-[1-(dimethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide
PubChem CID112733461
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]n1)C(=O)N(C)C
InChIInChI=1S/C8H13N5O2/c1-5(8(15)13(2)3)10-7(14)6-4-9-12-11-6/h4-5H,1-3H3,(H,10,14)(H,9,11,12)
InChIKeyAMBKSFROSHBYIU-UHFFFAOYSA-N
XLogP-0.99
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide (CID 112733461) is N-[1-(dimethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide is CC(NC(=O)c1cn[nH]n1)C(=O)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide?
The InChIKey is AMBKSFROSHBYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-5(8(15)13(2)3)10-7(14)6-4-9-12-11-6/h4-5H,1-3H3,(H,10,14)(H,9,11,12).
What are the key properties of N-[1-(dimethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide?
N-[1-(dimethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 112733461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).