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

C7H12N8 — CID 79531238

IUPAC1-[(1-propyltetrazol-5-yl)methyl]triazol-4-amine
SMILESCCCn1nnnc1Cn1cc(N)nn1
InChIInChI=1S/C7H12N8/c1-2-3-15-7(10-11-13-15)5-14-4-6(8)9-12-14/h4H,2-3,5,8H2,1H3
InChIKeyIRUOVTUVOQGPAC-UHFFFAOYSA-N
MW208.23 g/mol
LogP-0.69
Rot. Bonds4

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

1-[(1-propyltetrazol-5-yl)methyl]triazol-4-amine (PubChem CID 79531238) has the molecular formula C7H12N8 and a molecular weight of 208.23 g/mol. Its IUPAC name is 1-[(1-propyltetrazol-5-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name1-[(1-propyltetrazol-5-yl)methyl]triazol-4-amine
PubChem CID79531238
Molecular FormulaC7H12N8
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name1-[(1-propyltetrazol-5-yl)methyl]triazol-4-amine
SMILESCCCn1nnnc1Cn1cc(N)nn1
InChIInChI=1S/C7H12N8/c1-2-3-15-7(10-11-13-15)5-14-4-6(8)9-12-14/h4H,2-3,5,8H2,1H3
InChIKeyIRUOVTUVOQGPAC-UHFFFAOYSA-N
XLogP-0.69
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-propyltetrazol-5-yl)methyl]triazol-4-amine?
The IUPAC name of 1-[(1-propyltetrazol-5-yl)methyl]triazol-4-amine (CID 79531238) is 1-[(1-propyltetrazol-5-yl)methyl]triazol-4-amine.
What is the SMILES notation for 1-[(1-propyltetrazol-5-yl)methyl]triazol-4-amine?
The canonical SMILES for 1-[(1-propyltetrazol-5-yl)methyl]triazol-4-amine is CCCn1nnnc1Cn1cc(N)nn1.
What is the InChIKey of 1-[(1-propyltetrazol-5-yl)methyl]triazol-4-amine?
The InChIKey is IRUOVTUVOQGPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N8/c1-2-3-15-7(10-11-13-15)5-14-4-6(8)9-12-14/h4H,2-3,5,8H2,1H3.
What are the key properties of 1-[(1-propyltetrazol-5-yl)methyl]triazol-4-amine?
1-[(1-propyltetrazol-5-yl)methyl]triazol-4-amine has a molecular weight of 208.23 g/mol, XLogP of -0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propyltetrazol-5-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79531238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).