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

C8H16N4 — CID 139492479

IUPAC1,5-dimethyl-N-(2-methylpropyl)-1,2,4-triazol-3-amine
SMILESCc1nc(NCC(C)C)nn1C
InChIInChI=1S/C8H16N4/c1-6(2)5-9-8-10-7(3)12(4)11-8/h6H,5H2,1-4H3,(H,9,11)
InChIKeyAGTVGFCHJWVBHF-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.19
Rot. Bonds3

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

1,5-dimethyl-N-(2-methylpropyl)-1,2,4-triazol-3-amine (PubChem CID 139492479) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1,5-dimethyl-N-(2-methylpropyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-(2-methylpropyl)-1,2,4-triazol-3-amine
PubChem CID139492479
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name1,5-dimethyl-N-(2-methylpropyl)-1,2,4-triazol-3-amine
SMILESCc1nc(NCC(C)C)nn1C
InChIInChI=1S/C8H16N4/c1-6(2)5-9-8-10-7(3)12(4)11-8/h6H,5H2,1-4H3,(H,9,11)
InChIKeyAGTVGFCHJWVBHF-UHFFFAOYSA-N
XLogP1.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl-1H-1,2,4-triazol-3-amine
CID 307976
1,3-dimethyl-1H-1,2,4-triazol-5-amine
CID 307975
3-((dimethyl-1H-1,2,4-triazol-1-yl)methyl)piperidine
CID 54592625
5-Ethyl-1-methyl-1H-1,2,4-triazol-3-amine
CID 12523007
1-methyl-3-(propan-2-yl)-1H-1,2,4-triazol-5-amine
CID 50986546
3-ethyl-1-methyl-1H-1,2,4-triazol-5-amine
CID 12450937
3-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)-1-propanamine
CID 28064826
1-ethyl-3-methyl-1H-1,2,4-triazol-5-amine
CID 62678108
2-[1-methyl-3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]ethan-1-amine dihydrochloride
CID 132300829
3-((tert-butylamino)methyl)-1-methyl-1H-1,2,4-triazol-5-amine dihydrochloride
CID 145909109
5-ethyl-N,4-dimethyl-1,2,4-triazol-3-amine
CID 55286631
N,1-dipropyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine
CID 11333814

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(2-methylpropyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1,5-dimethyl-N-(2-methylpropyl)-1,2,4-triazol-3-amine (CID 139492479) is 1,5-dimethyl-N-(2-methylpropyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-(2-methylpropyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1,5-dimethyl-N-(2-methylpropyl)-1,2,4-triazol-3-amine is Cc1nc(NCC(C)C)nn1C.
What is the InChIKey of 1,5-dimethyl-N-(2-methylpropyl)-1,2,4-triazol-3-amine?
The InChIKey is AGTVGFCHJWVBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-6(2)5-9-8-10-7(3)12(4)11-8/h6H,5H2,1-4H3,(H,9,11).
What are the key properties of 1,5-dimethyl-N-(2-methylpropyl)-1,2,4-triazol-3-amine?
1,5-dimethyl-N-(2-methylpropyl)-1,2,4-triazol-3-amine has a molecular weight of 168.24 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(2-methylpropyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 139492479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).