N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine

C10H20N4 — CID 62694664

IUPACN-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
SMILESCCCn1cnnc1CNC(C)CC
InChIInChI=1S/C10H20N4/c1-4-6-14-8-12-13-10(14)7-11-9(3)5-2/h8-9,11H,4-7H2,1-3H3
InChIKeyUQJUFNJGOAXWAE-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.58
Rot. Bonds6

About N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine

N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine (PubChem CID 62694664) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
PubChem CID62694664
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
SMILESCCCn1cnnc1CNC(C)CC
InChIInChI=1S/C10H20N4/c1-4-6-14-8-12-13-10(14)7-11-9(3)5-2/h8-9,11H,4-7H2,1-3H3
InChIKeyUQJUFNJGOAXWAE-UHFFFAOYSA-N
XLogP1.58
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]octan-2-amine
CID 103777665
N-propan-2-yl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62694659
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 113260218
3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole
CID 112605961
4-methyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]aniline
CID 55108086
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]pentan-2-amine
CID 115725048
(3S)-3-(azepan-1-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 124842564
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrol-1-ylbutanamide
CID 131910883
(2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 97230173
4-propyl-3-(2,4,4-trimethylpentyl)-1,2,4-triazole
CID 115394976
N-[(1-methyltetrazol-5-yl)methyl]butan-2-amine
CID 161464390
N-methyl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62692198

Frequently Asked Questions

What is the IUPAC name of N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine?
The IUPAC name of N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine (CID 62694664) is N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine is CCCn1cnnc1CNC(C)CC.
What is the InChIKey of N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine?
The InChIKey is UQJUFNJGOAXWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-4-6-14-8-12-13-10(14)7-11-9(3)5-2/h8-9,11H,4-7H2,1-3H3.
What are the key properties of N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine?
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine has a molecular weight of 196.30 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine is sourced from PubChem (CID 62694664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).