1,4-dimethyl-3-(2-methyltetrazol-5-yl)pyrazol-5-amine

C7H11N7 — CID 164645305

IUPAC1,4-dimethyl-3-(2-methyltetrazol-5-yl)pyrazol-5-amine
SMILESCc1c(-c2nnn(C)n2)nn(C)c1N
InChIInChI=1S/C7H11N7/c1-4-5(10-13(2)6(4)8)7-9-12-14(3)11-7/h8H2,1-3H3
InChIKeyKHDNXNPQJCPUKO-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.50
Rot. Bonds1

About 1,4-dimethyl-3-(2-methyltetrazol-5-yl)pyrazol-5-amine

1,4-dimethyl-3-(2-methyltetrazol-5-yl)pyrazol-5-amine (PubChem CID 164645305) has the molecular formula C7H11N7 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1,4-dimethyl-3-(2-methyltetrazol-5-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1,4-dimethyl-3-(2-methyltetrazol-5-yl)pyrazol-5-amine
PubChem CID164645305
Molecular FormulaC7H11N7
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name1,4-dimethyl-3-(2-methyltetrazol-5-yl)pyrazol-5-amine
SMILESCc1c(-c2nnn(C)n2)nn(C)c1N
InChIInChI=1S/C7H11N7/c1-4-5(10-13(2)6(4)8)7-9-12-14(3)11-7/h8H2,1-3H3
InChIKeyKHDNXNPQJCPUKO-UHFFFAOYSA-N
XLogP-0.50
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-(2-methyltetrazol-5-yl)pyrazol-5-amine?
The IUPAC name of 1,4-dimethyl-3-(2-methyltetrazol-5-yl)pyrazol-5-amine (CID 164645305) is 1,4-dimethyl-3-(2-methyltetrazol-5-yl)pyrazol-5-amine.
What is the SMILES notation for 1,4-dimethyl-3-(2-methyltetrazol-5-yl)pyrazol-5-amine?
The canonical SMILES for 1,4-dimethyl-3-(2-methyltetrazol-5-yl)pyrazol-5-amine is Cc1c(-c2nnn(C)n2)nn(C)c1N.
What is the InChIKey of 1,4-dimethyl-3-(2-methyltetrazol-5-yl)pyrazol-5-amine?
The InChIKey is KHDNXNPQJCPUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N7/c1-4-5(10-13(2)6(4)8)7-9-12-14(3)11-7/h8H2,1-3H3.
What are the key properties of 1,4-dimethyl-3-(2-methyltetrazol-5-yl)pyrazol-5-amine?
1,4-dimethyl-3-(2-methyltetrazol-5-yl)pyrazol-5-amine has a molecular weight of 193.21 g/mol, XLogP of -0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-(2-methyltetrazol-5-yl)pyrazol-5-amine is sourced from PubChem (CID 164645305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).