N-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine

C9H11N5O — CID 961498

IUPACN-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESCOc1ccccc1CNc1nn[nH]n1
InChIInChI=1S/C9H11N5O/c1-15-8-5-3-2-4-7(8)6-10-9-11-13-14-12-9/h2-5H,6H2,1H3,(H2,10,11,12,13,14)
InChIKeyCIJXGZLVBNBOQS-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.82
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine

N-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine (PubChem CID 961498) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine
PubChem CID961498
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC NameN-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESCOc1ccccc1CNc1nn[nH]n1
InChIInChI=1S/C9H11N5O/c1-15-8-5-3-2-4-7(8)6-10-9-11-13-14-12-9/h2-5H,6H2,1H3,(H2,10,11,12,13,14)
InChIKeyCIJXGZLVBNBOQS-UHFFFAOYSA-N
XLogP0.82
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methylphenyl)methyl]-2H-tetrazol-5-amine
CID 4727778
N-[(2-methyl-3-pyridinyl)methyl]-2H-tetrazol-5-amine
CID 131070932
N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727584
6-chloro-4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62869536
N-[(2-methoxyphenyl)methyl]quinazolin-2-amine
CID 114788826
5-chloro-N-[(2-methoxyphenyl)methyl]pyridin-2-amine
CID 28548307
N-[2-(2-methoxyphenyl)ethyl]-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine
CID 123137691
2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112889572
5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106966308
5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine
CID 103726609
N-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-amine
CID 975932
N-[2-ethyl-3-[(2H-tetrazol-5-ylamino)methyl]phenyl]-6,7-dimethoxyquinolin-4-amine
CID 141124589

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine (CID 961498) is N-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine is COc1ccccc1CNc1nn[nH]n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine?
The InChIKey is CIJXGZLVBNBOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-15-8-5-3-2-4-7(8)6-10-9-11-13-14-12-9/h2-5H,6H2,1H3,(H2,10,11,12,13,14).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine?
N-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine has a molecular weight of 205.22 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 961498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).