1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-propyltriazole-4-carboxylic acid

C11H15N7O2 — CID 62056126

IUPAC1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-propyltriazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)nnn1Cc1nnnn1C1CC1
InChIInChI=1S/C11H15N7O2/c1-2-3-8-10(11(19)20)13-15-17(8)6-9-12-14-16-18(9)7-4-5-7/h7H,2-6H2,1H3,(H,19,20)
InChIKeyBQZMYUOESPWDGG-UHFFFAOYSA-N
MW277.29 g/mol
LogP0.30
Rot. Bonds6

About 1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-propyltriazole-4-carboxylic acid

1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-propyltriazole-4-carboxylic acid (PubChem CID 62056126) has the molecular formula C11H15N7O2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-propyltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-propyltriazole-4-carboxylic acid
PubChem CID62056126
Molecular FormulaC11H15N7O2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-propyltriazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)nnn1Cc1nnnn1C1CC1
InChIInChI=1S/C11H15N7O2/c1-2-3-8-10(11(19)20)13-15-17(8)6-9-12-14-16-18(9)7-4-5-7/h7H,2-6H2,1H3,(H,19,20)
InChIKeyBQZMYUOESPWDGG-UHFFFAOYSA-N
XLogP0.30
TPSA111.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-propyltriazole-4-carboxylic acid?
The IUPAC name of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-propyltriazole-4-carboxylic acid (CID 62056126) is 1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-propyltriazole-4-carboxylic acid.
What is the SMILES notation for 1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-propyltriazole-4-carboxylic acid?
The canonical SMILES for 1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-propyltriazole-4-carboxylic acid is CCCc1c(C(=O)O)nnn1Cc1nnnn1C1CC1.
What is the InChIKey of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-propyltriazole-4-carboxylic acid?
The InChIKey is BQZMYUOESPWDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O2/c1-2-3-8-10(11(19)20)13-15-17(8)6-9-12-14-16-18(9)7-4-5-7/h7H,2-6H2,1H3,(H,19,20).
What are the key properties of 1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-propyltriazole-4-carboxylic acid?
1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-propyltriazole-4-carboxylic acid has a molecular weight of 277.29 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropyltetrazol-5-yl)methyl]-5-propyltriazole-4-carboxylic acid is sourced from PubChem (CID 62056126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).