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

C9H18N4 — CID 65362660

IUPAC4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine
SMILESCC(C)(C)CCC(N)c1ncn[nH]1
InChIInChI=1S/C9H18N4/c1-9(2,3)5-4-7(10)8-11-6-12-13-8/h6-7H,4-5,10H2,1-3H3,(H,11,12,13)
InChIKeyPXVPFZYLGGUSMK-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.63
Rot. Bonds3

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

4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine (PubChem CID 65362660) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine
PubChem CID65362660
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine
SMILESCC(C)(C)CCC(N)c1ncn[nH]1
InChIInChI=1S/C9H18N4/c1-9(2,3)5-4-7(10)8-11-6-12-13-8/h6-7H,4-5,10H2,1-3H3,(H,11,12,13)
InChIKeyPXVPFZYLGGUSMK-UHFFFAOYSA-N
XLogP1.63
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine?
The IUPAC name of 4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine (CID 65362660) is 4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine?
The canonical SMILES for 4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine is CC(C)(C)CCC(N)c1ncn[nH]1.
What is the InChIKey of 4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine?
The InChIKey is PXVPFZYLGGUSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-9(2,3)5-4-7(10)8-11-6-12-13-8/h6-7H,4-5,10H2,1-3H3,(H,11,12,13).
What are the key properties of 4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine?
4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine has a molecular weight of 182.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine is sourced from PubChem (CID 65362660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).