N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine

C4H10N6 — CID 57390311

IUPACN'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine
SMILESNCCNCc1nn[nH]n1
InChIInChI=1S/C4H10N6/c5-1-2-6-3-4-7-9-10-8-4/h6H,1-3,5H2,(H,7,8,9,10)
InChIKeySNBRBFHTUMWDGP-UHFFFAOYSA-N
MW142.17 g/mol
LogP-1.75
Rot. Bonds4

About N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine

N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine (PubChem CID 57390311) has the molecular formula C4H10N6 and a molecular weight of 142.17 g/mol. Its IUPAC name is N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine
PubChem CID57390311
Molecular FormulaC4H10N6
Molecular Weight142.17 g/mol
Exact Mass142.10
IUPAC NameN'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine
SMILESNCCNCc1nn[nH]n1
InChIInChI=1S/C4H10N6/c5-1-2-6-3-4-7-9-10-8-4/h6H,1-3,5H2,(H,7,8,9,10)
InChIKeySNBRBFHTUMWDGP-UHFFFAOYSA-N
XLogP-1.75
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 5-1.75
H-Bond Donors ≤ 53
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'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine (CID 57390311) is N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine is NCCNCc1nn[nH]n1.
What is the InChIKey of N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine?
The InChIKey is SNBRBFHTUMWDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N6/c5-1-2-6-3-4-7-9-10-8-4/h6H,1-3,5H2,(H,7,8,9,10).
What are the key properties of N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine?
N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine has a molecular weight of 142.17 g/mol, XLogP of -1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 57390311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).