3-methyl-2-propyl-1,3-dihydro-1,2,4-triazole

C6H13N3 — CID 154326537

IUPAC3-methyl-2-propyl-1,3-dihydro-1,2,4-triazole
SMILESCCCN1NC=NC1C
InChIInChI=1S/C6H13N3/c1-3-4-9-6(2)7-5-8-9/h5-6H,3-4H2,1-2H3,(H,7,8)
InChIKeyGSSAFCFWJMDQKM-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.59
Rot. Bonds2

About 3-methyl-2-propyl-1,3-dihydro-1,2,4-triazole

3-methyl-2-propyl-1,3-dihydro-1,2,4-triazole (PubChem CID 154326537) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-methyl-2-propyl-1,3-dihydro-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-2-propyl-1,3-dihydro-1,2,4-triazole
PubChem CID154326537
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name3-methyl-2-propyl-1,3-dihydro-1,2,4-triazole
SMILESCCCN1NC=NC1C
InChIInChI=1S/C6H13N3/c1-3-4-9-6(2)7-5-8-9/h5-6H,3-4H2,1-2H3,(H,7,8)
InChIKeyGSSAFCFWJMDQKM-UHFFFAOYSA-N
XLogP0.59
TPSA27.63 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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1,3-dihydro-1,2,4-triazol-3-amine
CID 123534053
3-propan-2-yl-1-propyldiaziridine
CID 142127717
(3S,4S)-3,4-dimethyl-1-propylpyrrolidine
CID 59055005
(2S,6R)-2,6-dimethyl-1-propylpiperazine;hydrochloride
CID 130710519
(4aR,7aS)-4-(1H-imidazol-5-ylmethyl)-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70786079
4-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazolidine
CID 66218656
(2S,5S)-5-iodo-2-methyl-1-propylpiperazine
CID 166890530
5-methyl-1-propylimidazolidine
CID 154216085
2,3,5,6-tetramethyl-1-propylpiperidine
CID 126577523
(2S,3R)-2-methyl-1-propylpyrrolidin-3-ol
CID 130813850
3-(2,2-dimethylpropyl)-4-propyl-1,5-dihydro-1,2,4-triazole
CID 91260082
(3S,4S,7R)-4-amino-7-methyl-1-propylazepan-3-ol
CID 141043572

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propyl-1,3-dihydro-1,2,4-triazole?
The IUPAC name of 3-methyl-2-propyl-1,3-dihydro-1,2,4-triazole (CID 154326537) is 3-methyl-2-propyl-1,3-dihydro-1,2,4-triazole.
What is the SMILES notation for 3-methyl-2-propyl-1,3-dihydro-1,2,4-triazole?
The canonical SMILES for 3-methyl-2-propyl-1,3-dihydro-1,2,4-triazole is CCCN1NC=NC1C.
What is the InChIKey of 3-methyl-2-propyl-1,3-dihydro-1,2,4-triazole?
The InChIKey is GSSAFCFWJMDQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-3-4-9-6(2)7-5-8-9/h5-6H,3-4H2,1-2H3,(H,7,8).
What are the key properties of 3-methyl-2-propyl-1,3-dihydro-1,2,4-triazole?
3-methyl-2-propyl-1,3-dihydro-1,2,4-triazole has a molecular weight of 127.19 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propyl-1,3-dihydro-1,2,4-triazole is sourced from PubChem (CID 154326537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).