3,5-bis(2-methylpropyl)-1,2,4-triazol-4-amine

C10H20N4 — CID 100553551

IUPAC3,5-bis(2-methylpropyl)-1,2,4-triazol-4-amine
SMILESCC(C)Cc1nnc(CC(C)C)n1N
InChIInChI=1S/C10H20N4/c1-7(2)5-9-12-13-10(14(9)11)6-8(3)4/h7-8H,5-6,11H2,1-4H3
InChIKeyGDZRIDUCPCHANO-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.39
Rot. Bonds4

About 3,5-bis(2-methylpropyl)-1,2,4-triazol-4-amine

3,5-bis(2-methylpropyl)-1,2,4-triazol-4-amine (PubChem CID 100553551) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 3,5-bis(2-methylpropyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3,5-bis(2-methylpropyl)-1,2,4-triazol-4-amine
PubChem CID100553551
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name3,5-bis(2-methylpropyl)-1,2,4-triazol-4-amine
SMILESCC(C)Cc1nnc(CC(C)C)n1N
InChIInChI=1S/C10H20N4/c1-7(2)5-9-12-13-10(14(9)11)6-8(3)4/h7-8H,5-6,11H2,1-4H3
InChIKeyGDZRIDUCPCHANO-UHFFFAOYSA-N
XLogP1.39
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-3,5-dimethyl-1,2,4-triazole
CID 229800
3,5-Diethyl-4h-1,2,4-triazol-4-amine
CID 221248
5-Isobutyl-4H-1,2,4-triazol-3-amine
CID 4366578
Sbb059526
CID 2769373
3,5-Dipropyl-1,2,4-triazol-4-ylamine
CID 2758722
3,5-dipropyl-1H-1,2,4-triazole
CID 11390288
3,5-Bis(1-methylethyl)-4H-1,2,4-triazol-4-amine
CID 14338417
3,5-Dibutyl-4H-1,2,4-triazol-4-amine
CID 14338418
4-Amino-3,5-dipentyl-4h-1,2,4-triazole
CID 53434670
3,5-Dii-butyl-1h-1,2,4-triazole
CID 66487039
4-Fluoro-3-propan-2-yl-5-propyl-1,2,4-triazole
CID 141605967
5-Propan-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-amine
CID 149511675

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-methylpropyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3,5-bis(2-methylpropyl)-1,2,4-triazol-4-amine (CID 100553551) is 3,5-bis(2-methylpropyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3,5-bis(2-methylpropyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3,5-bis(2-methylpropyl)-1,2,4-triazol-4-amine is CC(C)Cc1nnc(CC(C)C)n1N.
What is the InChIKey of 3,5-bis(2-methylpropyl)-1,2,4-triazol-4-amine?
The InChIKey is GDZRIDUCPCHANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-7(2)5-9-12-13-10(14(9)11)6-8(3)4/h7-8H,5-6,11H2,1-4H3.
What are the key properties of 3,5-bis(2-methylpropyl)-1,2,4-triazol-4-amine?
3,5-bis(2-methylpropyl)-1,2,4-triazol-4-amine has a molecular weight of 196.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-methylpropyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 100553551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).