[1-(1-methyltetrazol-5-yl)-1,2,4-triazol-3-yl]methanamine

C5H8N8 — CID 63150314

IUPAC[1-(1-methyltetrazol-5-yl)-1,2,4-triazol-3-yl]methanamine
SMILESCn1nnnc1-n1cnc(CN)n1
InChIInChI=1S/C5H8N8/c1-12-5(8-10-11-12)13-3-7-4(2-6)9-13/h3H,2,6H2,1H3
InChIKeySQRVJPIBTYVAAK-UHFFFAOYSA-N
MW180.18 g/mol
LogP-1.75
Rot. Bonds2

About [1-(1-methyltetrazol-5-yl)-1,2,4-triazol-3-yl]methanamine

[1-(1-methyltetrazol-5-yl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 63150314) has the molecular formula C5H8N8 and a molecular weight of 180.18 g/mol. Its IUPAC name is [1-(1-methyltetrazol-5-yl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(1-methyltetrazol-5-yl)-1,2,4-triazol-3-yl]methanamine
PubChem CID63150314
Molecular FormulaC5H8N8
Molecular Weight180.18 g/mol
Exact Mass180.09
IUPAC Name[1-(1-methyltetrazol-5-yl)-1,2,4-triazol-3-yl]methanamine
SMILESCn1nnnc1-n1cnc(CN)n1
InChIInChI=1S/C5H8N8/c1-12-5(8-10-11-12)13-3-7-4(2-6)9-13/h3H,2,6H2,1H3
InChIKeySQRVJPIBTYVAAK-UHFFFAOYSA-N
XLogP-1.75
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 5-1.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-(1-methyltetrazol-5-yl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [1-(1-methyltetrazol-5-yl)-1,2,4-triazol-3-yl]methanamine (CID 63150314) is [1-(1-methyltetrazol-5-yl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [1-(1-methyltetrazol-5-yl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [1-(1-methyltetrazol-5-yl)-1,2,4-triazol-3-yl]methanamine is Cn1nnnc1-n1cnc(CN)n1.
What is the InChIKey of [1-(1-methyltetrazol-5-yl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is SQRVJPIBTYVAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N8/c1-12-5(8-10-11-12)13-3-7-4(2-6)9-13/h3H,2,6H2,1H3.
What are the key properties of [1-(1-methyltetrazol-5-yl)-1,2,4-triazol-3-yl]methanamine?
[1-(1-methyltetrazol-5-yl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 180.18 g/mol, XLogP of -1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methyltetrazol-5-yl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 63150314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).