1-[(1-butyltetrazol-5-yl)methyl]triazol-4-amine

C8H14N8 — CID 79530668

IUPAC1-[(1-butyltetrazol-5-yl)methyl]triazol-4-amine
SMILESCCCCn1nnnc1Cn1cc(N)nn1
InChIInChI=1S/C8H14N8/c1-2-3-4-16-8(11-12-14-16)6-15-5-7(9)10-13-15/h5H,2-4,6,9H2,1H3
InChIKeyAJIBCPCGAURMAJ-UHFFFAOYSA-N
MW222.26 g/mol
LogP-0.30
Rot. Bonds5

About 1-[(1-butyltetrazol-5-yl)methyl]triazol-4-amine

1-[(1-butyltetrazol-5-yl)methyl]triazol-4-amine (PubChem CID 79530668) has the molecular formula C8H14N8 and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-[(1-butyltetrazol-5-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name1-[(1-butyltetrazol-5-yl)methyl]triazol-4-amine
PubChem CID79530668
Molecular FormulaC8H14N8
Molecular Weight222.26 g/mol
Exact Mass222.13
IUPAC Name1-[(1-butyltetrazol-5-yl)methyl]triazol-4-amine
SMILESCCCCn1nnnc1Cn1cc(N)nn1
InChIInChI=1S/C8H14N8/c1-2-3-4-16-8(11-12-14-16)6-15-5-7(9)10-13-15/h5H,2-4,6,9H2,1H3
InChIKeyAJIBCPCGAURMAJ-UHFFFAOYSA-N
XLogP-0.30
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-butyltetrazol-5-yl)methyl]triazol-4-amine?
The IUPAC name of 1-[(1-butyltetrazol-5-yl)methyl]triazol-4-amine (CID 79530668) is 1-[(1-butyltetrazol-5-yl)methyl]triazol-4-amine.
What is the SMILES notation for 1-[(1-butyltetrazol-5-yl)methyl]triazol-4-amine?
The canonical SMILES for 1-[(1-butyltetrazol-5-yl)methyl]triazol-4-amine is CCCCn1nnnc1Cn1cc(N)nn1.
What is the InChIKey of 1-[(1-butyltetrazol-5-yl)methyl]triazol-4-amine?
The InChIKey is AJIBCPCGAURMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N8/c1-2-3-4-16-8(11-12-14-16)6-15-5-7(9)10-13-15/h5H,2-4,6,9H2,1H3.
What are the key properties of 1-[(1-butyltetrazol-5-yl)methyl]triazol-4-amine?
1-[(1-butyltetrazol-5-yl)methyl]triazol-4-amine has a molecular weight of 222.26 g/mol, XLogP of -0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butyltetrazol-5-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79530668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).