N-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline

C12H15N5 — CID 43687184

IUPACN-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline
SMILESCn1nnnc1-c1cccc(NCC2CC2)c1
InChIInChI=1S/C12H15N5/c1-17-12(14-15-16-17)10-3-2-4-11(7-10)13-8-9-5-6-9/h2-4,7,9,13H,5-6,8H2,1H3
InChIKeyJTVGYWWHNSNXMY-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.70
Rot. Bonds4

About N-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline

N-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline (PubChem CID 43687184) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline
PubChem CID43687184
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC NameN-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline
SMILESCn1nnnc1-c1cccc(NCC2CC2)c1
InChIInChI=1S/C12H15N5/c1-17-12(14-15-16-17)10-3-2-4-11(7-10)13-8-9-5-6-9/h2-4,7,9,13H,5-6,8H2,1H3
InChIKeyJTVGYWWHNSNXMY-UHFFFAOYSA-N
XLogP1.70
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline?
The IUPAC name of N-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline (CID 43687184) is N-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline?
The canonical SMILES for N-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline is Cn1nnnc1-c1cccc(NCC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline?
The InChIKey is JTVGYWWHNSNXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-17-12(14-15-16-17)10-3-2-4-11(7-10)13-8-9-5-6-9/h2-4,7,9,13H,5-6,8H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline?
N-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline has a molecular weight of 229.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline is sourced from PubChem (CID 43687184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).