N-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine

C7H14N4 — CID 65360719

IUPACN-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine
SMILESCCCC(NC)c1ncn[nH]1
InChIInChI=1S/C7H14N4/c1-3-4-6(8-2)7-9-5-10-11-7/h5-6,8H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyQUFAYMPCCCXGJI-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.87
Rot. Bonds4

About N-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine

N-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine (PubChem CID 65360719) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is N-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine
PubChem CID65360719
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC NameN-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine
SMILESCCCC(NC)c1ncn[nH]1
InChIInChI=1S/C7H14N4/c1-3-4-6(8-2)7-9-5-10-11-7/h5-6,8H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyQUFAYMPCCCXGJI-UHFFFAOYSA-N
XLogP0.87
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine
CID 65362730
N-methyl-3-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 114530308
N-ethyl-1-(1H-1,2,4-triazol-5-yl)decan-1-amine
CID 65360398
2-(4-bromophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65362970
2-(2,6-dichlorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65363305
(1S)-N,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 89012683
1-(1H-1,2,4-triazol-5-yl)pentylurea
CID 175608881
5-hexan-2-yl-1H-1,2,4-triazole
CID 122599049
[3-ethyl-1-(1H-1,2,4-triazol-5-yl)pentyl]hydrazine
CID 105230629
1-(1H-1,2,4-triazol-5-yl)hexan-1-ol
CID 65362645
5-propan-2-yl-1H-1,2,4-triazole
CID 165097993
N-ethyl-3-methylsulfonyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 65360783

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine?
The IUPAC name of N-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine (CID 65360719) is N-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine.
What is the SMILES notation for N-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine?
The canonical SMILES for N-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine is CCCC(NC)c1ncn[nH]1.
What is the InChIKey of N-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine?
The InChIKey is QUFAYMPCCCXGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-3-4-6(8-2)7-9-5-10-11-7/h5-6,8H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of N-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine?
N-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine has a molecular weight of 154.22 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine is sourced from PubChem (CID 65360719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).