(1-phenyltetrazol-5-yl)methanamine;hydrochloride

C8H10ClN5 — CID 2968624

IUPAC(1-phenyltetrazol-5-yl)methanamine;hydrochloride
SMILESCl.NCc1nnnn1-c1ccccc1
InChIInChI=1S/C8H9N5.ClH/c9-6-8-10-11-12-13(8)7-4-2-1-3-5-7;/h1-5H,6,9H2;1H
InChIKeyVXPUKOVKARQGCH-UHFFFAOYSA-N
MW211.66 g/mol
LogP0.54
Rot. Bonds2

About (1-phenyltetrazol-5-yl)methanamine;hydrochloride

(1-phenyltetrazol-5-yl)methanamine;hydrochloride (PubChem CID 2968624) has the molecular formula C8H10ClN5 and a molecular weight of 211.66 g/mol. Its IUPAC name is (1-phenyltetrazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1-phenyltetrazol-5-yl)methanamine;hydrochloride
PubChem CID2968624
Molecular FormulaC8H10ClN5
Molecular Weight211.66 g/mol
Exact Mass211.06
IUPAC Name(1-phenyltetrazol-5-yl)methanamine;hydrochloride
SMILESCl.NCc1nnnn1-c1ccccc1
InChIInChI=1S/C8H9N5.ClH/c9-6-8-10-11-12-13(8)7-4-2-1-3-5-7;/h1-5H,6,9H2;1H
InChIKeyVXPUKOVKARQGCH-UHFFFAOYSA-N
XLogP0.54
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.66
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-phenyltetrazol-5-yl)methanamine;hydrochloride?
The IUPAC name of (1-phenyltetrazol-5-yl)methanamine;hydrochloride (CID 2968624) is (1-phenyltetrazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (1-phenyltetrazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for (1-phenyltetrazol-5-yl)methanamine;hydrochloride is Cl.NCc1nnnn1-c1ccccc1.
What is the InChIKey of (1-phenyltetrazol-5-yl)methanamine;hydrochloride?
The InChIKey is VXPUKOVKARQGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5.ClH/c9-6-8-10-11-12-13(8)7-4-2-1-3-5-7;/h1-5H,6,9H2;1H.
What are the key properties of (1-phenyltetrazol-5-yl)methanamine;hydrochloride?
(1-phenyltetrazol-5-yl)methanamine;hydrochloride has a molecular weight of 211.66 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyltetrazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 2968624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).