N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,2,4-trimethylaniline

C14H19N5 — CID 52679425

IUPACN-[(1-cyclopropyltetrazol-5-yl)methyl]-N,2,4-trimethylaniline
SMILESCc1ccc(N(C)Cc2nnnn2C2CC2)c(C)c1
InChIInChI=1S/C14H19N5/c1-10-4-7-13(11(2)8-10)18(3)9-14-15-16-17-19(14)12-5-6-12/h4,7-8,12H,5-6,9H2,1-3H3
InChIKeyORGZBEHBLRSZKT-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.26
Rot. Bonds4

About N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,2,4-trimethylaniline

N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,2,4-trimethylaniline (PubChem CID 52679425) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,2,4-trimethylaniline.

Molecular Properties

Compound NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-N,2,4-trimethylaniline
PubChem CID52679425
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-N,2,4-trimethylaniline
SMILESCc1ccc(N(C)Cc2nnnn2C2CC2)c(C)c1
InChIInChI=1S/C14H19N5/c1-10-4-7-13(11(2)8-10)18(3)9-14-15-16-17-19(14)12-5-6-12/h4,7-8,12H,5-6,9H2,1-3H3
InChIKeyORGZBEHBLRSZKT-UHFFFAOYSA-N
XLogP2.26
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,2,4-trimethylaniline?
The IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,2,4-trimethylaniline (CID 52679425) is N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,2,4-trimethylaniline.
What is the SMILES notation for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,2,4-trimethylaniline?
The canonical SMILES for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,2,4-trimethylaniline is Cc1ccc(N(C)Cc2nnnn2C2CC2)c(C)c1.
What is the InChIKey of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,2,4-trimethylaniline?
The InChIKey is ORGZBEHBLRSZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-10-4-7-13(11(2)8-10)18(3)9-14-15-16-17-19(14)12-5-6-12/h4,7-8,12H,5-6,9H2,1-3H3.
What are the key properties of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,2,4-trimethylaniline?
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,2,4-trimethylaniline has a molecular weight of 257.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,2,4-trimethylaniline is sourced from PubChem (CID 52679425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).