1,4,5-trimethyl-4,5-dihydrotriazole;1,4,5-trimethyltriazole;2,4,5-trimethyltriazole

C15H29N9 — CID 158791325

IUPAC1,4,5-trimethyl-4,5-dihydrotriazole;1,4,5-trimethyltriazole;2,4,5-trimethyltriazole
SMILESCC1N=NN(C)C1C.Cc1nn(C)nc1C.Cc1nnn(C)c1C
InChIInChI=1S/C5H11N3.2C5H9N3/c2*1-4-5(2)8(3)7-6-4;1-4-5(2)7-8(3)6-4/h4-5H,1-3H3;2*1-3H3
InChIKeyISHSLEYOTIDLRN-UHFFFAOYSA-N
MW335.46 g/mol
LogP1.94
Rot. Bonds

About 1,4,5-trimethyl-4,5-dihydrotriazole;1,4,5-trimethyltriazole;2,4,5-trimethyltriazole

1,4,5-trimethyl-4,5-dihydrotriazole;1,4,5-trimethyltriazole;2,4,5-trimethyltriazole (PubChem CID 158791325) has the molecular formula C15H29N9 and a molecular weight of 335.46 g/mol. Its IUPAC name is 1,4,5-trimethyl-4,5-dihydrotriazole;1,4,5-trimethyltriazole;2,4,5-trimethyltriazole.

Molecular Properties

Compound Name1,4,5-trimethyl-4,5-dihydrotriazole;1,4,5-trimethyltriazole;2,4,5-trimethyltriazole
PubChem CID158791325
Molecular FormulaC15H29N9
Molecular Weight335.46 g/mol
Exact Mass335.25
IUPAC Name1,4,5-trimethyl-4,5-dihydrotriazole;1,4,5-trimethyltriazole;2,4,5-trimethyltriazole
SMILESCC1N=NN(C)C1C.Cc1nn(C)nc1C.Cc1nnn(C)c1C
InChIInChI=1S/C5H11N3.2C5H9N3/c2*1-4-5(2)8(3)7-6-4;1-4-5(2)7-8(3)6-4/h4-5H,1-3H3;2*1-3H3
InChIKeyISHSLEYOTIDLRN-UHFFFAOYSA-N
XLogP1.94
TPSA89.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

CID 159861964
CID 159861964
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CID 69384820
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CID 131865476
1-ethenyl-4,5-dimethyltriazole
CID 123702577
N,3,5-trimethyltriazol-4-amine
CID 118346509
[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 126816311
1-cyclopropyl-4,5-dimethyltriazole
CID 139406030
(1,3,5-trimethylpyrazol-4-yl)boronic acid
CID 11171100
N'-(1,7-dimethyltriazolo[4,5-d]pyrimidin-5-yl)-N'-methylethane-1,2-diamine
CID 83838341
4,5-dimethyl-1-(2-propan-2-ylphenyl)triazole
CID 58328305
CID 59355466
CID 59355466

Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethyl-4,5-dihydrotriazole;1,4,5-trimethyltriazole;2,4,5-trimethyltriazole?
The IUPAC name of 1,4,5-trimethyl-4,5-dihydrotriazole;1,4,5-trimethyltriazole;2,4,5-trimethyltriazole (CID 158791325) is 1,4,5-trimethyl-4,5-dihydrotriazole;1,4,5-trimethyltriazole;2,4,5-trimethyltriazole.
What is the SMILES notation for 1,4,5-trimethyl-4,5-dihydrotriazole;1,4,5-trimethyltriazole;2,4,5-trimethyltriazole?
The canonical SMILES for 1,4,5-trimethyl-4,5-dihydrotriazole;1,4,5-trimethyltriazole;2,4,5-trimethyltriazole is CC1N=NN(C)C1C.Cc1nn(C)nc1C.Cc1nnn(C)c1C.
What is the InChIKey of 1,4,5-trimethyl-4,5-dihydrotriazole;1,4,5-trimethyltriazole;2,4,5-trimethyltriazole?
The InChIKey is ISHSLEYOTIDLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3.2C5H9N3/c2*1-4-5(2)8(3)7-6-4;1-4-5(2)7-8(3)6-4/h4-5H,1-3H3;2*1-3H3.
What are the key properties of 1,4,5-trimethyl-4,5-dihydrotriazole;1,4,5-trimethyltriazole;2,4,5-trimethyltriazole?
1,4,5-trimethyl-4,5-dihydrotriazole;1,4,5-trimethyltriazole;2,4,5-trimethyltriazole has a molecular weight of 335.46 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethyl-4,5-dihydrotriazole;1,4,5-trimethyltriazole;2,4,5-trimethyltriazole is sourced from PubChem (CID 158791325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).