5-[[4-(3-aminopropyl)triazol-1-yl]methyl]-2-methylpyrimidin-4-amine;hydrochloride

C11H18ClN7 — CID 155563338

IUPAC5-[[4-(3-aminopropyl)triazol-1-yl]methyl]-2-methylpyrimidin-4-amine;hydrochloride
SMILESCc1ncc(Cn2cc(CCCN)nn2)c(N)n1.Cl
InChIInChI=1S/C11H17N7.ClH/c1-8-14-5-9(11(13)15-8)6-18-7-10(16-17-18)3-2-4-12;/h5,7H,2-4,6,12H2,1H3,(H2,13,14,15);1H
InChIKeyLQILDAVVTORWCU-UHFFFAOYSA-N
MW283.77 g/mol
LogP0.32
Rot. Bonds5

About 5-[[4-(3-aminopropyl)triazol-1-yl]methyl]-2-methylpyrimidin-4-amine;hydrochloride

5-[[4-(3-aminopropyl)triazol-1-yl]methyl]-2-methylpyrimidin-4-amine;hydrochloride (PubChem CID 155563338) has the molecular formula C11H18ClN7 and a molecular weight of 283.77 g/mol. Its IUPAC name is 5-[[4-(3-aminopropyl)triazol-1-yl]methyl]-2-methylpyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name5-[[4-(3-aminopropyl)triazol-1-yl]methyl]-2-methylpyrimidin-4-amine;hydrochloride
PubChem CID155563338
Molecular FormulaC11H18ClN7
Molecular Weight283.77 g/mol
Exact Mass283.13
IUPAC Name5-[[4-(3-aminopropyl)triazol-1-yl]methyl]-2-methylpyrimidin-4-amine;hydrochloride
SMILESCc1ncc(Cn2cc(CCCN)nn2)c(N)n1.Cl
InChIInChI=1S/C11H17N7.ClH/c1-8-14-5-9(11(13)15-8)6-18-7-10(16-17-18)3-2-4-12;/h5,7H,2-4,6,12H2,1H3,(H2,13,14,15);1H
InChIKeyLQILDAVVTORWCU-UHFFFAOYSA-N
XLogP0.32
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-aminopropyl)triazol-1-yl]methyl]-2-methylpyrimidin-4-amine;hydrochloride?
The IUPAC name of 5-[[4-(3-aminopropyl)triazol-1-yl]methyl]-2-methylpyrimidin-4-amine;hydrochloride (CID 155563338) is 5-[[4-(3-aminopropyl)triazol-1-yl]methyl]-2-methylpyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 5-[[4-(3-aminopropyl)triazol-1-yl]methyl]-2-methylpyrimidin-4-amine;hydrochloride?
The canonical SMILES for 5-[[4-(3-aminopropyl)triazol-1-yl]methyl]-2-methylpyrimidin-4-amine;hydrochloride is Cc1ncc(Cn2cc(CCCN)nn2)c(N)n1.Cl.
What is the InChIKey of 5-[[4-(3-aminopropyl)triazol-1-yl]methyl]-2-methylpyrimidin-4-amine;hydrochloride?
The InChIKey is LQILDAVVTORWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7.ClH/c1-8-14-5-9(11(13)15-8)6-18-7-10(16-17-18)3-2-4-12;/h5,7H,2-4,6,12H2,1H3,(H2,13,14,15);1H.
What are the key properties of 5-[[4-(3-aminopropyl)triazol-1-yl]methyl]-2-methylpyrimidin-4-amine;hydrochloride?
5-[[4-(3-aminopropyl)triazol-1-yl]methyl]-2-methylpyrimidin-4-amine;hydrochloride has a molecular weight of 283.77 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-aminopropyl)triazol-1-yl]methyl]-2-methylpyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 155563338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).