N-[3-(tetrazol-2-yl)propyl]aniline

C10H13N5 — CID 18349042

IUPACN-[3-(tetrazol-2-yl)propyl]aniline
SMILESc1ccc(NCCCn2ncnn2)cc1
InChIInChI=1S/C10H13N5/c1-2-5-10(6-3-1)11-7-4-8-15-13-9-12-14-15/h1-3,5-6,9,11H,4,7-8H2
InChIKeyHQCAIGIPJURPKH-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.18
Rot. Bonds5

About N-[3-(tetrazol-2-yl)propyl]aniline

N-[3-(tetrazol-2-yl)propyl]aniline (PubChem CID 18349042) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is N-[3-(tetrazol-2-yl)propyl]aniline.

Molecular Properties

Compound NameN-[3-(tetrazol-2-yl)propyl]aniline
PubChem CID18349042
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC NameN-[3-(tetrazol-2-yl)propyl]aniline
SMILESc1ccc(NCCCn2ncnn2)cc1
InChIInChI=1S/C10H13N5/c1-2-5-10(6-3-1)11-7-4-8-15-13-9-12-14-15/h1-3,5-6,9,11H,4,7-8H2
InChIKeyHQCAIGIPJURPKH-UHFFFAOYSA-N
XLogP1.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(tetrazol-2-yl)propyl]aniline?
The IUPAC name of N-[3-(tetrazol-2-yl)propyl]aniline (CID 18349042) is N-[3-(tetrazol-2-yl)propyl]aniline.
What is the SMILES notation for N-[3-(tetrazol-2-yl)propyl]aniline?
The canonical SMILES for N-[3-(tetrazol-2-yl)propyl]aniline is c1ccc(NCCCn2ncnn2)cc1.
What is the InChIKey of N-[3-(tetrazol-2-yl)propyl]aniline?
The InChIKey is HQCAIGIPJURPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-2-5-10(6-3-1)11-7-4-8-15-13-9-12-14-15/h1-3,5-6,9,11H,4,7-8H2.
What are the key properties of N-[3-(tetrazol-2-yl)propyl]aniline?
N-[3-(tetrazol-2-yl)propyl]aniline has a molecular weight of 203.25 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tetrazol-2-yl)propyl]aniline is sourced from PubChem (CID 18349042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).