N-[(2-chlorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine

C12H11ClN6 — CID 3243799

IUPACN-[(2-chlorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ccccc2Cl)n2nnnc2n1
InChIInChI=1S/C12H11ClN6/c1-8-6-11(19-12(15-8)16-17-18-19)14-7-9-4-2-3-5-10(9)13/h2-6,14H,7H2,1H3
InChIKeyIQFGKJOHIPFUQA-UHFFFAOYSA-N
MW274.72 g/mol
LogP2.09
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine

N-[(2-chlorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3243799) has the molecular formula C12H11ClN6 and a molecular weight of 274.72 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine
PubChem CID3243799
Molecular FormulaC12H11ClN6
Molecular Weight274.72 g/mol
Exact Mass274.07
IUPAC NameN-[(2-chlorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ccccc2Cl)n2nnnc2n1
InChIInChI=1S/C12H11ClN6/c1-8-6-11(19-12(15-8)16-17-18-19)14-7-9-4-2-3-5-10(9)13/h2-6,14H,7H2,1H3
InChIKeyIQFGKJOHIPFUQA-UHFFFAOYSA-N
XLogP2.09
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine (CID 3243799) is N-[(2-chlorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2ccccc2Cl)n2nnnc2n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IQFGKJOHIPFUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6/c1-8-6-11(19-12(15-8)16-17-18-19)14-7-9-4-2-3-5-10(9)13/h2-6,14H,7H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine?
N-[(2-chlorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 274.72 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3243799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).