4,5-dimethyl-3-propan-2-yl-1,2-dihydrotriazole

C7H15N3 — CID 139494114

IUPAC4,5-dimethyl-3-propan-2-yl-1,2-dihydrotriazole
SMILESCC1=C(C)N(C(C)C)NN1
InChIInChI=1S/C7H15N3/c1-5(2)10-7(4)6(3)8-9-10/h5,8-9H,1-4H3
InChIKeySIRJCYYRMZRLSK-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.97
Rot. Bonds1

About 4,5-dimethyl-3-propan-2-yl-1,2-dihydrotriazole

4,5-dimethyl-3-propan-2-yl-1,2-dihydrotriazole (PubChem CID 139494114) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 4,5-dimethyl-3-propan-2-yl-1,2-dihydrotriazole.

Molecular Properties

Compound Name4,5-dimethyl-3-propan-2-yl-1,2-dihydrotriazole
PubChem CID139494114
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name4,5-dimethyl-3-propan-2-yl-1,2-dihydrotriazole
SMILESCC1=C(C)N(C(C)C)NN1
InChIInChI=1S/C7H15N3/c1-5(2)10-7(4)6(3)8-9-10/h5,8-9H,1-4H3
InChIKeySIRJCYYRMZRLSK-UHFFFAOYSA-N
XLogP0.97
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-propan-2-yl-1,2-dihydrotriazole?
The IUPAC name of 4,5-dimethyl-3-propan-2-yl-1,2-dihydrotriazole (CID 139494114) is 4,5-dimethyl-3-propan-2-yl-1,2-dihydrotriazole.
What is the SMILES notation for 4,5-dimethyl-3-propan-2-yl-1,2-dihydrotriazole?
The canonical SMILES for 4,5-dimethyl-3-propan-2-yl-1,2-dihydrotriazole is CC1=C(C)N(C(C)C)NN1.
What is the InChIKey of 4,5-dimethyl-3-propan-2-yl-1,2-dihydrotriazole?
The InChIKey is SIRJCYYRMZRLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-5(2)10-7(4)6(3)8-9-10/h5,8-9H,1-4H3.
What are the key properties of 4,5-dimethyl-3-propan-2-yl-1,2-dihydrotriazole?
4,5-dimethyl-3-propan-2-yl-1,2-dihydrotriazole has a molecular weight of 141.22 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-propan-2-yl-1,2-dihydrotriazole is sourced from PubChem (CID 139494114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).