5-(aminomethyl)-1-methyltriazol-4-amine

C4H9N5 — CID 12690232

IUPAC5-(aminomethyl)-1-methyltriazol-4-amine
SMILESCn1nnc(N)c1CN
InChIInChI=1S/C4H9N5/c1-9-3(2-5)4(6)7-8-9/h2,5-6H2,1H3
InChIKeyDXUVORFIFLMDTG-UHFFFAOYSA-N
MW127.15 g/mol
LogP-1.14
Rot. Bonds1

About 5-(aminomethyl)-1-methyltriazol-4-amine

5-(aminomethyl)-1-methyltriazol-4-amine (PubChem CID 12690232) has the molecular formula C4H9N5 and a molecular weight of 127.15 g/mol. Its IUPAC name is 5-(aminomethyl)-1-methyltriazol-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-1-methyltriazol-4-amine
PubChem CID12690232
Molecular FormulaC4H9N5
Molecular Weight127.15 g/mol
Exact Mass127.09
IUPAC Name5-(aminomethyl)-1-methyltriazol-4-amine
SMILESCn1nnc(N)c1CN
InChIInChI=1S/C4H9N5/c1-9-3(2-5)4(6)7-8-9/h2,5-6H2,1H3
InChIKeyDXUVORFIFLMDTG-UHFFFAOYSA-N
XLogP-1.14
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-methyltriazol-4-amine?
The IUPAC name of 5-(aminomethyl)-1-methyltriazol-4-amine (CID 12690232) is 5-(aminomethyl)-1-methyltriazol-4-amine.
What is the SMILES notation for 5-(aminomethyl)-1-methyltriazol-4-amine?
The canonical SMILES for 5-(aminomethyl)-1-methyltriazol-4-amine is Cn1nnc(N)c1CN.
What is the InChIKey of 5-(aminomethyl)-1-methyltriazol-4-amine?
The InChIKey is DXUVORFIFLMDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5/c1-9-3(2-5)4(6)7-8-9/h2,5-6H2,1H3.
What are the key properties of 5-(aminomethyl)-1-methyltriazol-4-amine?
5-(aminomethyl)-1-methyltriazol-4-amine has a molecular weight of 127.15 g/mol, XLogP of -1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-methyltriazol-4-amine is sourced from PubChem (CID 12690232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).