N-[(1-ethyltriazol-4-yl)methyl]-3-[formyl(methyl)amino]butanamide

C11H19N5O2 — CID 88857423

IUPACN-[(1-ethyltriazol-4-yl)methyl]-3-[formyl(methyl)amino]butanamide
SMILESCCn1cc(CNC(=O)CC(C)N(C)C=O)nn1
InChIInChI=1S/C11H19N5O2/c1-4-16-7-10(13-14-16)6-12-11(18)5-9(2)15(3)8-17/h7-9H,4-6H2,1-3H3,(H,12,18)
InChIKeyGRQVJYPDGJJVAT-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.22
Rot. Bonds7

About N-[(1-ethyltriazol-4-yl)methyl]-3-[formyl(methyl)amino]butanamide

N-[(1-ethyltriazol-4-yl)methyl]-3-[formyl(methyl)amino]butanamide (PubChem CID 88857423) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[(1-ethyltriazol-4-yl)methyl]-3-[formyl(methyl)amino]butanamide.

Molecular Properties

Compound NameN-[(1-ethyltriazol-4-yl)methyl]-3-[formyl(methyl)amino]butanamide
PubChem CID88857423
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-[(1-ethyltriazol-4-yl)methyl]-3-[formyl(methyl)amino]butanamide
SMILESCCn1cc(CNC(=O)CC(C)N(C)C=O)nn1
InChIInChI=1S/C11H19N5O2/c1-4-16-7-10(13-14-16)6-12-11(18)5-9(2)15(3)8-17/h7-9H,4-6H2,1-3H3,(H,12,18)
InChIKeyGRQVJYPDGJJVAT-UHFFFAOYSA-N
XLogP-0.22
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[(4-methoxy-3-methylbutanoyl)amino]methyl]triazol-1-yl]acetic acid
CID 113313833
2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
CID 114778471
ethane;4-(methylamino)-N-[[1-(4-methylpentyl)triazol-4-yl]methyl]butanamide;propanal
CID 171554916
2-[4-[(3-cyclohexylbutanoylamino)methyl]triazol-1-yl]acetic acid
CID 120698743
2-[4-[[[methyl(2-methylpropyl)carbamoyl]amino]methyl]triazol-1-yl]acetic acid
CID 113314010
2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide
CID 114778830
2-[4-[(3-propan-2-yloxypropanoylamino)methyl]triazol-1-yl]acetic acid
CID 120698322
N-[[1-[3-(2-methylbutylamino)-3-oxopropyl]triazol-4-yl]methyl]-4-oxohexanamide
CID 176953322
4,4-dimethyl-N-[[1-(5-oxopentyl)triazol-4-yl]methyl]pentanamide
CID 155323027
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 66194493
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide
CID 66270629
N-[(1-ethyltriazol-4-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide
CID 138033075

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyltriazol-4-yl)methyl]-3-[formyl(methyl)amino]butanamide?
The IUPAC name of N-[(1-ethyltriazol-4-yl)methyl]-3-[formyl(methyl)amino]butanamide (CID 88857423) is N-[(1-ethyltriazol-4-yl)methyl]-3-[formyl(methyl)amino]butanamide.
What is the SMILES notation for N-[(1-ethyltriazol-4-yl)methyl]-3-[formyl(methyl)amino]butanamide?
The canonical SMILES for N-[(1-ethyltriazol-4-yl)methyl]-3-[formyl(methyl)amino]butanamide is CCn1cc(CNC(=O)CC(C)N(C)C=O)nn1.
What is the InChIKey of N-[(1-ethyltriazol-4-yl)methyl]-3-[formyl(methyl)amino]butanamide?
The InChIKey is GRQVJYPDGJJVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-4-16-7-10(13-14-16)6-12-11(18)5-9(2)15(3)8-17/h7-9H,4-6H2,1-3H3,(H,12,18).
What are the key properties of N-[(1-ethyltriazol-4-yl)methyl]-3-[formyl(methyl)amino]butanamide?
N-[(1-ethyltriazol-4-yl)methyl]-3-[formyl(methyl)amino]butanamide has a molecular weight of 253.31 g/mol, XLogP of -0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyltriazol-4-yl)methyl]-3-[formyl(methyl)amino]butanamide is sourced from PubChem (CID 88857423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).