N,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine

C9H18N4 — CID 65362730

IUPACN,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine
SMILESCNC(CCC(C)C)c1ncn[nH]1
InChIInChI=1S/C9H18N4/c1-7(2)4-5-8(10-3)9-11-6-12-13-9/h6-8,10H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyNEOWTFFZXNUFSU-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.50
Rot. Bonds5

About N,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine

N,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine (PubChem CID 65362730) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine
PubChem CID65362730
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine
SMILESCNC(CCC(C)C)c1ncn[nH]1
InChIInChI=1S/C9H18N4/c1-7(2)4-5-8(10-3)9-11-6-12-13-9/h6-8,10H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyNEOWTFFZXNUFSU-UHFFFAOYSA-N
XLogP1.50
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine
CID 65360719
5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine
CID 106281815
(1S)-N,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 89012683
N-methyl-3-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 114530308
[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine
CID 105230310
5-propan-2-yl-1H-1,2,4-triazole
CID 165097993
2-(2,6-dichlorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65363305
2-(4-bromophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65362970
methane;5-propan-2-yl-1H-1,2,4-triazole
CID 158048677
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 65444972
2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106282578
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 102857645

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine?
The IUPAC name of N,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine (CID 65362730) is N,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine.
What is the SMILES notation for N,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine?
The canonical SMILES for N,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine is CNC(CCC(C)C)c1ncn[nH]1.
What is the InChIKey of N,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine?
The InChIKey is NEOWTFFZXNUFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-7(2)4-5-8(10-3)9-11-6-12-13-9/h6-8,10H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of N,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine?
N,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine has a molecular weight of 182.27 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine is sourced from PubChem (CID 65362730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).