2-(carbamoylamino)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

C8H14N6O2 — CID 64511072

IUPAC2-(carbamoylamino)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCC(NC(N)=O)C(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C8H14N6O2/c1-5(12-8(9)16)7(15)14(2)3-6-10-4-11-13-6/h4-5H,3H2,1-2H3,(H3,9,12,16)(H,10,11,13)
InChIKeyVHIDIHIBZUEQSN-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.18
Rot. Bonds4

About 2-(carbamoylamino)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

2-(carbamoylamino)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 64511072) has the molecular formula C8H14N6O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID64511072
Molecular FormulaC8H14N6O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name2-(carbamoylamino)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCC(NC(N)=O)C(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C8H14N6O2/c1-5(12-8(9)16)7(15)14(2)3-6-10-4-11-13-6/h4-5H,3H2,1-2H3,(H3,9,12,16)(H,10,11,13)
InChIKeyVHIDIHIBZUEQSN-UHFFFAOYSA-N
XLogP-1.18
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of 2-(carbamoylamino)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 64511072) is 2-(carbamoylamino)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for 2-(carbamoylamino)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is CC(NC(N)=O)C(=O)N(C)Cc1ncn[nH]1.
What is the InChIKey of 2-(carbamoylamino)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is VHIDIHIBZUEQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O2/c1-5(12-8(9)16)7(15)14(2)3-6-10-4-11-13-6/h4-5H,3H2,1-2H3,(H3,9,12,16)(H,10,11,13).
What are the key properties of 2-(carbamoylamino)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
2-(carbamoylamino)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 226.24 g/mol, XLogP of -1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 64511072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).