N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-1-amine

C13H26N4 — CID 112744550

IUPACN-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCCCCC(NC(C)C)c1ncnn1CCC
InChIInChI=1S/C13H26N4/c1-5-7-8-12(16-11(3)4)13-14-10-15-17(13)9-6-2/h10-12,16H,5-9H2,1-4H3
InChIKeyVSMYXRAIPRULLK-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.92
Rot. Bonds8

About N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-1-amine

N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-1-amine (PubChem CID 112744550) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-1-amine
PubChem CID112744550
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCCCCC(NC(C)C)c1ncnn1CCC
InChIInChI=1S/C13H26N4/c1-5-7-8-12(16-11(3)4)13-14-10-15-17(13)9-6-2/h10-12,16H,5-9H2,1-4H3
InChIKeyVSMYXRAIPRULLK-UHFFFAOYSA-N
XLogP2.92
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-amine
CID 79411663
1-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylhexan-2-amine
CID 79413166
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propan-2-ylpentan-1-amine
CID 114657485
5-[1-(dimethylsulfamoylamino)ethyl]-1-propyl-1,2,4-triazole
CID 122562994
(1R)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol
CID 70043029
1-(3,3-difluoropropyl)-5-propan-2-yl-1,2,4-triazole
CID 166500003
N-ethyl-1-(2-propylpyrazol-3-yl)pentan-1-amine
CID 79405561
4-chloro-1-methyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 122563851
2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 122570467
N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-propylpyrazole-3-carboxamide
CID 125446560
(2,6-dichlorophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanamine
CID 112744766
3-[1-(propan-2-ylamino)pentyl]pyridin-2-amine
CID 79412342

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-1-amine?
The IUPAC name of N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-1-amine (CID 112744550) is N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-1-amine.
What is the SMILES notation for N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-1-amine?
The canonical SMILES for N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-1-amine is CCCCC(NC(C)C)c1ncnn1CCC.
What is the InChIKey of N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-1-amine?
The InChIKey is VSMYXRAIPRULLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-5-7-8-12(16-11(3)4)13-14-10-15-17(13)9-6-2/h10-12,16H,5-9H2,1-4H3.
What are the key properties of N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-1-amine?
N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-1-amine has a molecular weight of 238.38 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-1-amine is sourced from PubChem (CID 112744550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).