N-[4-(aminomethyl)phenyl]-N,1-dimethyltetrazol-5-amine

C10H14N6 — CID 63152218

IUPACN-[4-(aminomethyl)phenyl]-N,1-dimethyltetrazol-5-amine
SMILESCN(c1ccc(CN)cc1)c1nnnn1C
InChIInChI=1S/C10H14N6/c1-15(10-12-13-14-16(10)2)9-5-3-8(7-11)4-6-9/h3-6H,7,11H2,1-2H3
InChIKeyFPTCIHQCCXCBHG-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.44
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-N,1-dimethyltetrazol-5-amine

N-[4-(aminomethyl)phenyl]-N,1-dimethyltetrazol-5-amine (PubChem CID 63152218) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N,1-dimethyltetrazol-5-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N,1-dimethyltetrazol-5-amine
PubChem CID63152218
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC NameN-[4-(aminomethyl)phenyl]-N,1-dimethyltetrazol-5-amine
SMILESCN(c1ccc(CN)cc1)c1nnnn1C
InChIInChI=1S/C10H14N6/c1-15(10-12-13-14-16(10)2)9-5-3-8(7-11)4-6-9/h3-6H,7,11H2,1-2H3
InChIKeyFPTCIHQCCXCBHG-UHFFFAOYSA-N
XLogP0.44
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N,1-dimethyltetrazol-5-amine?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N,1-dimethyltetrazol-5-amine (CID 63152218) is N-[4-(aminomethyl)phenyl]-N,1-dimethyltetrazol-5-amine.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N,1-dimethyltetrazol-5-amine?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N,1-dimethyltetrazol-5-amine is CN(c1ccc(CN)cc1)c1nnnn1C.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N,1-dimethyltetrazol-5-amine?
The InChIKey is FPTCIHQCCXCBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-15(10-12-13-14-16(10)2)9-5-3-8(7-11)4-6-9/h3-6H,7,11H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N,1-dimethyltetrazol-5-amine?
N-[4-(aminomethyl)phenyl]-N,1-dimethyltetrazol-5-amine has a molecular weight of 218.26 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N,1-dimethyltetrazol-5-amine is sourced from PubChem (CID 63152218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).