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

C9H20Cl2N4 — CID 119032830

IUPAC4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine;dihydrochloride
SMILESCC(C)(C)CCC(N)c1ncn[nH]1.Cl.Cl
InChIInChI=1S/C9H18N4.2ClH/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);2*1H
InChIKeyWOIXGRXGZFQGPR-UHFFFAOYSA-N
MW255.19 g/mol
LogP2.47
Rot. Bonds3

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

4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine;dihydrochloride (PubChem CID 119032830) has the molecular formula C9H20Cl2N4 and a molecular weight of 255.19 g/mol. Its IUPAC name is 4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine;dihydrochloride.

Molecular Properties

Compound Name4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine;dihydrochloride
PubChem CID119032830
Molecular FormulaC9H20Cl2N4
Molecular Weight255.19 g/mol
Exact Mass254.11
IUPAC Name4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine;dihydrochloride
SMILESCC(C)(C)CCC(N)c1ncn[nH]1.Cl.Cl
InChIInChI=1S/C9H18N4.2ClH/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);2*1H
InChIKeyWOIXGRXGZFQGPR-UHFFFAOYSA-N
XLogP2.47
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 52.47
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;dihydrochloride?
The IUPAC name of 4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine;dihydrochloride (CID 119032830) is 4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine;dihydrochloride.
What is the SMILES notation for 4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine;dihydrochloride?
The canonical SMILES for 4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine;dihydrochloride is CC(C)(C)CCC(N)c1ncn[nH]1.Cl.Cl.
What is the InChIKey of 4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine;dihydrochloride?
The InChIKey is WOIXGRXGZFQGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4.2ClH/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);2*1H.
What are the key properties of 4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine;dihydrochloride?
4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine;dihydrochloride has a molecular weight of 255.19 g/mol, XLogP of 2.47, 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;dihydrochloride is sourced from PubChem (CID 119032830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).