N-carbamoyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]acetamide

C8H14N6O2 — CID 106302630

IUPACN-carbamoyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]acetamide
SMILESCCn1cnnc1CNCC(=O)NC(N)=O
InChIInChI=1S/C8H14N6O2/c1-2-14-5-11-13-6(14)3-10-4-7(15)12-8(9)16/h5,10H,2-4H2,1H3,(H3,9,12,15,16)
InChIKeyLNWLHXDKEXHPFO-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.42
Rot. Bonds5

About N-carbamoyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]acetamide

N-carbamoyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]acetamide (PubChem CID 106302630) has the molecular formula C8H14N6O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is N-carbamoyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]acetamide
PubChem CID106302630
Molecular FormulaC8H14N6O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC NameN-carbamoyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]acetamide
SMILESCCn1cnnc1CNCC(=O)NC(N)=O
InChIInChI=1S/C8H14N6O2/c1-2-14-5-11-13-6(14)3-10-4-7(15)12-8(9)16/h5,10H,2-4H2,1H3,(H3,9,12,15,16)
InChIKeyLNWLHXDKEXHPFO-UHFFFAOYSA-N
XLogP-1.42
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 106302763
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 106302438
2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 106303782
4-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
CID 106302869
2-[2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 106302145
6-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexanamide
CID 105056213
2-(azetidin-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 103813771
3-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylpropanamide
CID 103813792
4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide
CID 106302459
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexan-1-amine
CID 106301790
3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 106304193
2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpentanamide
CID 103813831

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]acetamide?
The IUPAC name of N-carbamoyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]acetamide (CID 106302630) is N-carbamoyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]acetamide.
What is the SMILES notation for N-carbamoyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]acetamide?
The canonical SMILES for N-carbamoyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]acetamide is CCn1cnnc1CNCC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]acetamide?
The InChIKey is LNWLHXDKEXHPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O2/c1-2-14-5-11-13-6(14)3-10-4-7(15)12-8(9)16/h5,10H,2-4H2,1H3,(H3,9,12,15,16).
What are the key properties of N-carbamoyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]acetamide?
N-carbamoyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]acetamide has a molecular weight of 226.24 g/mol, XLogP of -1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]acetamide is sourced from PubChem (CID 106302630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).