N-propyl-4-(2H-tetrazol-5-yl)aniline

C10H13N5 — CID 23224649

IUPACN-propyl-4-(2H-tetrazol-5-yl)aniline
SMILESCCCNc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C10H13N5/c1-2-7-11-9-5-3-8(4-6-9)10-12-14-15-13-10/h3-6,11H,2,7H2,1H3,(H,12,13,14,15)
InChIKeyAKPHWSZBXDHIFY-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.69
Rot. Bonds4

About N-propyl-4-(2H-tetrazol-5-yl)aniline

N-propyl-4-(2H-tetrazol-5-yl)aniline (PubChem CID 23224649) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is N-propyl-4-(2H-tetrazol-5-yl)aniline.

Molecular Properties

Compound NameN-propyl-4-(2H-tetrazol-5-yl)aniline
PubChem CID23224649
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC NameN-propyl-4-(2H-tetrazol-5-yl)aniline
SMILESCCCNc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C10H13N5/c1-2-7-11-9-5-3-8(4-6-9)10-12-14-15-13-10/h3-6,11H,2,7H2,1H3,(H,12,13,14,15)
InChIKeyAKPHWSZBXDHIFY-UHFFFAOYSA-N
XLogP1.69
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(2H-tetrazol-5-yl)aniline?
The IUPAC name of N-propyl-4-(2H-tetrazol-5-yl)aniline (CID 23224649) is N-propyl-4-(2H-tetrazol-5-yl)aniline.
What is the SMILES notation for N-propyl-4-(2H-tetrazol-5-yl)aniline?
The canonical SMILES for N-propyl-4-(2H-tetrazol-5-yl)aniline is CCCNc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-propyl-4-(2H-tetrazol-5-yl)aniline?
The InChIKey is AKPHWSZBXDHIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-2-7-11-9-5-3-8(4-6-9)10-12-14-15-13-10/h3-6,11H,2,7H2,1H3,(H,12,13,14,15).
What are the key properties of N-propyl-4-(2H-tetrazol-5-yl)aniline?
N-propyl-4-(2H-tetrazol-5-yl)aniline has a molecular weight of 203.25 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(2H-tetrazol-5-yl)aniline is sourced from PubChem (CID 23224649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).