N-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine

C8H16N4 — CID 62041881

IUPACN-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine
SMILESCCCC(Cn1cncn1)NC
InChIInChI=1S/C8H16N4/c1-3-4-8(9-2)5-12-7-10-6-11-12/h6-9H,3-5H2,1-2H3
InChIKeyOJXARJQOMZMJOS-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.67
Rot. Bonds5

About N-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine

N-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine (PubChem CID 62041881) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine
PubChem CID62041881
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine
SMILESCCCC(Cn1cncn1)NC
InChIInChI=1S/C8H16N4/c1-3-4-8(9-2)5-12-7-10-6-11-12/h6-9H,3-5H2,1-2H3
InChIKeyOJXARJQOMZMJOS-UHFFFAOYSA-N
XLogP0.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-1,2,4-triazol-1-yl)piperidine
CID 19005989
1-[(pyrrolidin-2-yl)methyl]-1H-1,2,4-triazole
CID 25248699
1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 6484104
4-(1H-1,2,4-Triazol-1-yl)piperidine
CID 23532625
2-(1H-1,2,4-triazol-1-ylmethyl)piperidine
CID 54592631
4-(1H-1,2,4-triazol-1-yl)butan-2-amine
CID 43118947
3-(1H-1,2,4-triazol-1-yl)butan-2-amine
CID 50987516
2-[(1H-1,2,4-triazol-1-yl)methyl]piperidine dihydrochloride
CID 155978216
1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-1,2,4-triazole dihydrochloride
CID 177800552
1-{[(2R)-pyrrolidin-2-yl]methyl}-1H-1,2,4-triazole dihydrochloride
CID 177800592
1-(pyrrolidin-3-yl)-1H-1,2,4-triazole
CID 19005995
4,4,4-Trifluoro-3-(1,2,4-triazol-1-yl)butan-2-amine
CID 61648364

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine?
The IUPAC name of N-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine (CID 62041881) is N-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine.
What is the SMILES notation for N-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine?
The canonical SMILES for N-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine is CCCC(Cn1cncn1)NC.
What is the InChIKey of N-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine?
The InChIKey is OJXARJQOMZMJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-3-4-8(9-2)5-12-7-10-6-11-12/h6-9H,3-5H2,1-2H3.
What are the key properties of N-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine?
N-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine has a molecular weight of 168.24 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,2,4-triazol-1-yl)pentan-2-amine is sourced from PubChem (CID 62041881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).