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

C11H22N4 — CID 62694659

IUPACN-propan-2-yl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCCCn1cnnc1CCCNC(C)C
InChIInChI=1S/C11H22N4/c1-4-8-15-9-13-14-11(15)6-5-7-12-10(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyQDYCSOQDABCQQT-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.62
Rot. Bonds7

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

N-propan-2-yl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 62694659) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N-propan-2-yl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID62694659
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN-propan-2-yl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCCCn1cnnc1CCCNC(C)C
InChIInChI=1S/C11H22N4/c1-4-8-15-9-13-14-11(15)6-5-7-12-10(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyQDYCSOQDABCQQT-UHFFFAOYSA-N
XLogP1.62
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-propan-2-yl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62692198
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
CID 62694664
3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine
CID 62720337
3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole
CID 112605961
2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 62694477
3-(2-cyclohexylethyl)-4-propyl-1,2,4-triazole
CID 115395107
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]pentan-2-amine
CID 115725048
4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole
CID 115393653
3-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,2,4-triazole
CID 103213666
3-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine
CID 62694930
3-(3,5-dimethyl-1-propylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 79225845
4-propyl-3-(2,4,4-trimethylpentyl)-1,2,4-triazole
CID 115394976

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of N-propan-2-yl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine (CID 62694659) is N-propan-2-yl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for N-propan-2-yl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine is CCCn1cnnc1CCCNC(C)C.
What is the InChIKey of N-propan-2-yl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is QDYCSOQDABCQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-4-8-15-9-13-14-11(15)6-5-7-12-10(2)3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of N-propan-2-yl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine?
N-propan-2-yl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 62694659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).