N'-(1-methyltetrazol-5-yl)butane-1,4-diamine

C6H14N6 — CID 63152546

IUPACN'-(1-methyltetrazol-5-yl)butane-1,4-diamine
SMILESCn1nnnc1NCCCCN
InChIInChI=1S/C6H14N6/c1-12-6(9-10-11-12)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9,11)
InChIKeyXQLZDMJFESHKJW-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.64
Rot. Bonds5

About N'-(1-methyltetrazol-5-yl)butane-1,4-diamine

N'-(1-methyltetrazol-5-yl)butane-1,4-diamine (PubChem CID 63152546) has the molecular formula C6H14N6 and a molecular weight of 170.22 g/mol. Its IUPAC name is N'-(1-methyltetrazol-5-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(1-methyltetrazol-5-yl)butane-1,4-diamine
PubChem CID63152546
Molecular FormulaC6H14N6
Molecular Weight170.22 g/mol
Exact Mass170.13
IUPAC NameN'-(1-methyltetrazol-5-yl)butane-1,4-diamine
SMILESCn1nnnc1NCCCCN
InChIInChI=1S/C6H14N6/c1-12-6(9-10-11-12)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9,11)
InChIKeyXQLZDMJFESHKJW-UHFFFAOYSA-N
XLogP-0.64
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-propyl-1H-tetrazol-5-amine
CID 220622
1-Butyl-1H-Tetrazol-5-Amine
CID 223446
1-Ethyl-5-(ethylamino)-1H-tetrazole hydrochloride
CID 3031928
Isopropyl-(1-isopropyl-1H-tetrazol-5-YL)-amine
CID 408090
1H-Tetrazole-1-butanamine
CID 55284078
1-Hexyltetrazol-5-amine
CID 223449
1-Butyl-5-(ethylamino)-1H-tetrazole hydrochloride
CID 3031881
5-(Ethylamino)-1-heptyl-1H-tetrazole hydrochloride
CID 3031911
5-(Ethylamino)-1-isobutyl-1H-tetrazole hydrochloride
CID 3031913
5-(Ethylamino)-1-isopentyl-1H-tetrazole hydrochloride
CID 3031915
5-(Ethylamino)-1-isopropyl-1H-tetrazole hydrochloride
CID 3031917
5-(Ethylamino)-1-pentyl-1H-tetrazole hydrochloride
CID 3031921

Frequently Asked Questions

What is the IUPAC name of N'-(1-methyltetrazol-5-yl)butane-1,4-diamine?
The IUPAC name of N'-(1-methyltetrazol-5-yl)butane-1,4-diamine (CID 63152546) is N'-(1-methyltetrazol-5-yl)butane-1,4-diamine.
What is the SMILES notation for N'-(1-methyltetrazol-5-yl)butane-1,4-diamine?
The canonical SMILES for N'-(1-methyltetrazol-5-yl)butane-1,4-diamine is Cn1nnnc1NCCCCN.
What is the InChIKey of N'-(1-methyltetrazol-5-yl)butane-1,4-diamine?
The InChIKey is XQLZDMJFESHKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N6/c1-12-6(9-10-11-12)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9,11).
What are the key properties of N'-(1-methyltetrazol-5-yl)butane-1,4-diamine?
N'-(1-methyltetrazol-5-yl)butane-1,4-diamine has a molecular weight of 170.22 g/mol, XLogP of -0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methyltetrazol-5-yl)butane-1,4-diamine is sourced from PubChem (CID 63152546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).