5-(2-methylpropyl)-4,5-dihydro-1H-triazole

C6H13N3 — CID 167188526

IUPAC5-(2-methylpropyl)-4,5-dihydro-1H-triazole
SMILESCC(C)CC1CN=NN1
InChIInChI=1S/C6H13N3/c1-5(2)3-6-4-7-9-8-6/h5-6H,3-4H2,1-2H3,(H,7,8)
InChIKeyMMWMMIAGVPQEQS-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.37
Rot. Bonds2

About 5-(2-methylpropyl)-4,5-dihydro-1H-triazole

5-(2-methylpropyl)-4,5-dihydro-1H-triazole (PubChem CID 167188526) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 5-(2-methylpropyl)-4,5-dihydro-1H-triazole.

Molecular Properties

Compound Name5-(2-methylpropyl)-4,5-dihydro-1H-triazole
PubChem CID167188526
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name5-(2-methylpropyl)-4,5-dihydro-1H-triazole
SMILESCC(C)CC1CN=NN1
InChIInChI=1S/C6H13N3/c1-5(2)3-6-4-7-9-8-6/h5-6H,3-4H2,1-2H3,(H,7,8)
InChIKeyMMWMMIAGVPQEQS-UHFFFAOYSA-N
XLogP1.37
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-ylsulfanyl-4,5-dihydro-1H-triazole
CID 154418217
2-(2-methylpropyl)-4-propan-2-ylazetidine
CID 170298327
2,3-dimethyl-5-(2-methylpropyl)piperazine
CID 547422
(2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen
CID 142042486
3-(2-methylpropyl)morpholine
CID 20811826
2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine
CID 18720150
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
(2S,4S)-4-(cyclopropylmethoxy)-2-(2-methylpropyl)pyrrolidine
CID 99994966
3-(2-methylpropyl)-4,5-dihydro-3H-pyrazole
CID 163477104
4,4-difluoro-2-(2-methylpropyl)piperidine
CID 84767422
(4R)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 2734862
5-(2-methylpropyl)-1,4-oxazepane
CID 129066958

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-4,5-dihydro-1H-triazole?
The IUPAC name of 5-(2-methylpropyl)-4,5-dihydro-1H-triazole (CID 167188526) is 5-(2-methylpropyl)-4,5-dihydro-1H-triazole.
What is the SMILES notation for 5-(2-methylpropyl)-4,5-dihydro-1H-triazole?
The canonical SMILES for 5-(2-methylpropyl)-4,5-dihydro-1H-triazole is CC(C)CC1CN=NN1.
What is the InChIKey of 5-(2-methylpropyl)-4,5-dihydro-1H-triazole?
The InChIKey is MMWMMIAGVPQEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-5(2)3-6-4-7-9-8-6/h5-6H,3-4H2,1-2H3,(H,7,8).
What are the key properties of 5-(2-methylpropyl)-4,5-dihydro-1H-triazole?
5-(2-methylpropyl)-4,5-dihydro-1H-triazole has a molecular weight of 127.19 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-4,5-dihydro-1H-triazole is sourced from PubChem (CID 167188526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).