N-[2-(2H-tetrazol-5-yl)ethyl]propan-1-amine

C6H13N5 — CID 61367413

IUPACN-[2-(2H-tetrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNCCc1nn[nH]n1
InChIInChI=1S/C6H13N5/c1-2-4-7-5-3-6-8-10-11-9-6/h7H,2-5H2,1H3,(H,8,9,10,11)
InChIKeyDKBCOCLTVZBWOZ-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.26
Rot. Bonds5

About N-[2-(2H-tetrazol-5-yl)ethyl]propan-1-amine

N-[2-(2H-tetrazol-5-yl)ethyl]propan-1-amine (PubChem CID 61367413) has the molecular formula C6H13N5 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-[2-(2H-tetrazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2H-tetrazol-5-yl)ethyl]propan-1-amine
PubChem CID61367413
Molecular FormulaC6H13N5
Molecular Weight155.20 g/mol
Exact Mass155.12
IUPAC NameN-[2-(2H-tetrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNCCc1nn[nH]n1
InChIInChI=1S/C6H13N5/c1-2-4-7-5-3-6-8-10-11-9-6/h7H,2-5H2,1H3,(H,8,9,10,11)
InChIKeyDKBCOCLTVZBWOZ-UHFFFAOYSA-N
XLogP-0.26
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(2H-tetrazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2H-tetrazol-5-yl)ethyl]propan-1-amine (CID 61367413) is N-[2-(2H-tetrazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2H-tetrazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2H-tetrazol-5-yl)ethyl]propan-1-amine is CCCNCCc1nn[nH]n1.
What is the InChIKey of N-[2-(2H-tetrazol-5-yl)ethyl]propan-1-amine?
The InChIKey is DKBCOCLTVZBWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5/c1-2-4-7-5-3-6-8-10-11-9-6/h7H,2-5H2,1H3,(H,8,9,10,11).
What are the key properties of N-[2-(2H-tetrazol-5-yl)ethyl]propan-1-amine?
N-[2-(2H-tetrazol-5-yl)ethyl]propan-1-amine has a molecular weight of 155.20 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2H-tetrazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 61367413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).