4-(3-propyltriazol-4-yl)butan-2-amine

C9H18N4 — CID 114690307

IUPAC4-(3-propyltriazol-4-yl)butan-2-amine
SMILESCCCn1nncc1CCC(C)N
InChIInChI=1S/C9H18N4/c1-3-6-13-9(7-11-12-13)5-4-8(2)10/h7-8H,3-6,10H2,1-2H3
InChIKeyHKXDAQRWIZFJHG-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.97
Rot. Bonds5

About 4-(3-propyltriazol-4-yl)butan-2-amine

4-(3-propyltriazol-4-yl)butan-2-amine (PubChem CID 114690307) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-(3-propyltriazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name4-(3-propyltriazol-4-yl)butan-2-amine
PubChem CID114690307
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name4-(3-propyltriazol-4-yl)butan-2-amine
SMILESCCCn1nncc1CCC(C)N
InChIInChI=1S/C9H18N4/c1-3-6-13-9(7-11-12-13)5-4-8(2)10/h7-8H,3-6,10H2,1-2H3
InChIKeyHKXDAQRWIZFJHG-UHFFFAOYSA-N
XLogP0.97
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-propyltriazol-4-yl)pentan-3-amine
CID 114690321
N-methyl-1-(3-propyltriazol-4-yl)hexan-3-amine
CID 114690382
1,5-bis(3-methylbutyl)triazole
CID 122630242
N-propyl-1-(3-propyltriazol-4-yl)hexan-3-amine
CID 114690387
1-phenyl-3-(3-propyltriazol-4-yl)propan-1-ol
CID 114690545
3-(3-propyltriazol-4-yl)propan-1-ol
CID 114690518
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
2-methyl-N-[3-(3-propyltriazol-4-yl)propyl]propan-1-amine
CID 114690351
4-amino-1-(3-propyltriazol-4-yl)pentan-1-one
CID 114692018
5-(3-methylbutyl)-1-(8-methylnonyl)triazole
CID 59827215
2-methyl-N-[(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687773
1-heptyl-5-(3-methylsulfanylbutyl)triazole
CID 126566003

Frequently Asked Questions

What is the IUPAC name of 4-(3-propyltriazol-4-yl)butan-2-amine?
The IUPAC name of 4-(3-propyltriazol-4-yl)butan-2-amine (CID 114690307) is 4-(3-propyltriazol-4-yl)butan-2-amine.
What is the SMILES notation for 4-(3-propyltriazol-4-yl)butan-2-amine?
The canonical SMILES for 4-(3-propyltriazol-4-yl)butan-2-amine is CCCn1nncc1CCC(C)N.
What is the InChIKey of 4-(3-propyltriazol-4-yl)butan-2-amine?
The InChIKey is HKXDAQRWIZFJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-3-6-13-9(7-11-12-13)5-4-8(2)10/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 4-(3-propyltriazol-4-yl)butan-2-amine?
4-(3-propyltriazol-4-yl)butan-2-amine has a molecular weight of 182.27 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propyltriazol-4-yl)butan-2-amine is sourced from PubChem (CID 114690307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).