3-[(1-methyltriazol-4-yl)methylamino]propanamide

C7H13N5O — CID 62755404

IUPAC3-[(1-methyltriazol-4-yl)methylamino]propanamide
SMILESCn1cc(CNCCC(N)=O)nn1
InChIInChI=1S/C7H13N5O/c1-12-5-6(10-11-12)4-9-3-2-7(8)13/h5,9H,2-4H2,1H3,(H2,8,13)
InChIKeyIRRWCHHJEWDEDC-UHFFFAOYSA-N
MW183.22 g/mol
LogP-1.22
Rot. Bonds5

About 3-[(1-methyltriazol-4-yl)methylamino]propanamide

3-[(1-methyltriazol-4-yl)methylamino]propanamide (PubChem CID 62755404) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is 3-[(1-methyltriazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound Name3-[(1-methyltriazol-4-yl)methylamino]propanamide
PubChem CID62755404
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC Name3-[(1-methyltriazol-4-yl)methylamino]propanamide
SMILESCn1cc(CNCCC(N)=O)nn1
InChIInChI=1S/C7H13N5O/c1-12-5-6(10-11-12)4-9-3-2-7(8)13/h5,9H,2-4H2,1H3,(H2,8,13)
InChIKeyIRRWCHHJEWDEDC-UHFFFAOYSA-N
XLogP-1.22
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(1-methyltriazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62755577
2-methylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 63983700
N,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]acetamide
CID 62757210
3-chloro-N-[(1-methyltriazol-4-yl)methyl]butan-1-amine
CID 107054038
4-[2-[(1-methyltriazol-4-yl)methylamino]ethyl]benzenesulfonamide
CID 62755460
3-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
CID 62756118
2-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide
CID 55113606
2-(1-methylpyrazol-3-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 104626854
3-[(1-methyltriazol-4-yl)methylamino]propane-1,2-diol
CID 66176969
3-(1-methyltriazol-4-yl)propanoic acid
CID 21284782
3-[(6-methyl-2-pyridinyl)methylamino]propanamide
CID 62323562
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyltriazol-4-yl)methylamino]propanamide?
The IUPAC name of 3-[(1-methyltriazol-4-yl)methylamino]propanamide (CID 62755404) is 3-[(1-methyltriazol-4-yl)methylamino]propanamide.
What is the SMILES notation for 3-[(1-methyltriazol-4-yl)methylamino]propanamide?
The canonical SMILES for 3-[(1-methyltriazol-4-yl)methylamino]propanamide is Cn1cc(CNCCC(N)=O)nn1.
What is the InChIKey of 3-[(1-methyltriazol-4-yl)methylamino]propanamide?
The InChIKey is IRRWCHHJEWDEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-12-5-6(10-11-12)4-9-3-2-7(8)13/h5,9H,2-4H2,1H3,(H2,8,13).
What are the key properties of 3-[(1-methyltriazol-4-yl)methylamino]propanamide?
3-[(1-methyltriazol-4-yl)methylamino]propanamide has a molecular weight of 183.22 g/mol, XLogP of -1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyltriazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 62755404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).