4-[4-(3-imidazol-1-ylpropyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine

C13H18N8 — CID 1472726

IUPAC4-[4-(3-imidazol-1-ylpropyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine
SMILESCc1nnc(-c2cnn(C)c2N)n1CCCn1ccnc1
InChIInChI=1S/C13H18N8/c1-10-17-18-13(11-8-16-19(2)12(11)14)21(10)6-3-5-20-7-4-15-9-20/h4,7-9H,3,5-6,14H2,1-2H3
InChIKeyUZDLBPIOOFFHSD-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.86
Rot. Bonds5

About 4-[4-(3-imidazol-1-ylpropyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine

4-[4-(3-imidazol-1-ylpropyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine (PubChem CID 1472726) has the molecular formula C13H18N8 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-[4-(3-imidazol-1-ylpropyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[4-(3-imidazol-1-ylpropyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine
PubChem CID1472726
Molecular FormulaC13H18N8
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name4-[4-(3-imidazol-1-ylpropyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine
SMILESCc1nnc(-c2cnn(C)c2N)n1CCCn1ccnc1
InChIInChI=1S/C13H18N8/c1-10-17-18-13(11-8-16-19(2)12(11)14)21(10)6-3-5-20-7-4-15-9-20/h4,7-9H,3,5-6,14H2,1-2H3
InChIKeyUZDLBPIOOFFHSD-UHFFFAOYSA-N
XLogP0.86
TPSA92.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-imidazol-1-ylpropyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[4-(3-imidazol-1-ylpropyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine (CID 1472726) is 4-[4-(3-imidazol-1-ylpropyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[4-(3-imidazol-1-ylpropyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[4-(3-imidazol-1-ylpropyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine is Cc1nnc(-c2cnn(C)c2N)n1CCCn1ccnc1.
What is the InChIKey of 4-[4-(3-imidazol-1-ylpropyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine?
The InChIKey is UZDLBPIOOFFHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N8/c1-10-17-18-13(11-8-16-19(2)12(11)14)21(10)6-3-5-20-7-4-15-9-20/h4,7-9H,3,5-6,14H2,1-2H3.
What are the key properties of 4-[4-(3-imidazol-1-ylpropyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine?
4-[4-(3-imidazol-1-ylpropyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine has a molecular weight of 286.34 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-imidazol-1-ylpropyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 1472726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).