N-[(2-methylphenyl)methyl]-1-propyltetrazol-5-amine

C12H17N5 — CID 4725629

IUPACN-[(2-methylphenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccccc1C
InChIInChI=1S/C12H17N5/c1-3-8-17-12(14-15-16-17)13-9-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,13,14,16)
InChIKeyFHUBMNIOCZIWMP-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.00
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-1-propyltetrazol-5-amine

N-[(2-methylphenyl)methyl]-1-propyltetrazol-5-amine (PubChem CID 4725629) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-1-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-1-propyltetrazol-5-amine
PubChem CID4725629
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-[(2-methylphenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccccc1C
InChIInChI=1S/C12H17N5/c1-3-8-17-12(14-15-16-17)13-9-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,13,14,16)
InChIKeyFHUBMNIOCZIWMP-UHFFFAOYSA-N
XLogP2.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-propyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine
CID 4726983
N-[(Z)-3-phenylprop-2-enyl]-1-propyltetrazol-5-amine
CID 93073274
N-[(2-methylphenyl)methyl]-1-propylpyrazol-3-amine
CID 19625907
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine
CID 17057739
1-(naphthalen-1-ylmethyl)-3-(1-propyltetrazol-5-yl)urea
CID 29183380
N-[(2-chlorophenyl)methyl]-1-methyltetrazol-5-amine
CID 4725595
N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine
CID 66543957
N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 66543195
N-[(2-methylphenyl)methyl]-2H-tetrazol-5-amine
CID 4727778
N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727584
2-[2-[[(1-methyltetrazol-5-yl)amino]methyl]phenyl]acetic acid
CID 81318049
2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-propylpyrrolo[2,3-c]pyridin-7-amine
CID 67141915

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-1-propyltetrazol-5-amine?
The IUPAC name of N-[(2-methylphenyl)methyl]-1-propyltetrazol-5-amine (CID 4725629) is N-[(2-methylphenyl)methyl]-1-propyltetrazol-5-amine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-1-propyltetrazol-5-amine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-1-propyltetrazol-5-amine is CCCn1nnnc1NCc1ccccc1C.
What is the InChIKey of N-[(2-methylphenyl)methyl]-1-propyltetrazol-5-amine?
The InChIKey is FHUBMNIOCZIWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-3-8-17-12(14-15-16-17)13-9-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,13,14,16).
What are the key properties of N-[(2-methylphenyl)methyl]-1-propyltetrazol-5-amine?
N-[(2-methylphenyl)methyl]-1-propyltetrazol-5-amine has a molecular weight of 231.30 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-1-propyltetrazol-5-amine is sourced from PubChem (CID 4725629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).