5-chloro-N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]pyrimidine-4-carboxamide

C11H12ClN7O — CID 124726467

IUPAC5-chloro-N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]pyrimidine-4-carboxamide
SMILESC[C@@H](NC(=O)c1ncncc1Cl)c1nnnn1C1CC1
InChIInChI=1S/C11H12ClN7O/c1-6(10-16-17-18-19(10)7-2-3-7)15-11(20)9-8(12)4-13-5-14-9/h4-7H,2-3H2,1H3,(H,15,20)/t6-/m1/s1
InChIKeyBVFDUUAWRJIOEW-ZCFIWIBFSA-N
MW293.72 g/mol
LogP0.94
Rot. Bonds4

About 5-chloro-N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]pyrimidine-4-carboxamide

5-chloro-N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]pyrimidine-4-carboxamide (PubChem CID 124726467) has the molecular formula C11H12ClN7O and a molecular weight of 293.72 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]pyrimidine-4-carboxamide
PubChem CID124726467
Molecular FormulaC11H12ClN7O
Molecular Weight293.72 g/mol
Exact Mass293.08
IUPAC Name5-chloro-N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]pyrimidine-4-carboxamide
SMILESC[C@@H](NC(=O)c1ncncc1Cl)c1nnnn1C1CC1
InChIInChI=1S/C11H12ClN7O/c1-6(10-16-17-18-19(10)7-2-3-7)15-11(20)9-8(12)4-13-5-14-9/h4-7H,2-3H2,1H3,(H,15,20)/t6-/m1/s1
InChIKeyBVFDUUAWRJIOEW-ZCFIWIBFSA-N
XLogP0.94
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]pyrimidine-4-carboxamide (CID 124726467) is 5-chloro-N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]pyrimidine-4-carboxamide is C[C@@H](NC(=O)c1ncncc1Cl)c1nnnn1C1CC1.
What is the InChIKey of 5-chloro-N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is BVFDUUAWRJIOEW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H12ClN7O/c1-6(10-16-17-18-19(10)7-2-3-7)15-11(20)9-8(12)4-13-5-14-9/h4-7H,2-3H2,1H3,(H,15,20)/t6-/m1/s1.
What are the key properties of 5-chloro-N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]pyrimidine-4-carboxamide?
5-chloro-N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 293.72 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 124726467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).