4-methyl-1-pentan-3-yltriazole

C8H15N3 — CID 91565163

IUPAC4-methyl-1-pentan-3-yltriazole
SMILESCCC(CC)n1cc(C)nn1
InChIInChI=1S/C8H15N3/c1-4-8(5-2)11-6-7(3)9-10-11/h6,8H,4-5H2,1-3H3
InChIKeyAKEHKLYSNIVFIX-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.95
Rot. Bonds3

About 4-methyl-1-pentan-3-yltriazole

4-methyl-1-pentan-3-yltriazole (PubChem CID 91565163) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 4-methyl-1-pentan-3-yltriazole.

Molecular Properties

Compound Name4-methyl-1-pentan-3-yltriazole
PubChem CID91565163
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name4-methyl-1-pentan-3-yltriazole
SMILESCCC(CC)n1cc(C)nn1
InChIInChI=1S/C8H15N3/c1-4-8(5-2)11-6-7(3)9-10-11/h6,8H,4-5H2,1-3H3
InChIKeyAKEHKLYSNIVFIX-UHFFFAOYSA-N
XLogP1.95
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(3-methylbutan-2-yl)triazole
CID 58125139
2-(1-pentan-3-yltriazol-4-yl)acetic acid
CID 107461337
1-ethyl-4-methyltriazole
CID 58612101
3-methyl-1-pentan-3-ylpyrazol-4-amine
CID 79421536
4-methyl-1-propyltriazole
CID 59256869
2-(4-nitrotriazol-1-yl)butan-1-ol
CID 139705702
2,2-diethyl-4-(1-hexan-3-yltriazol-4-yl)butanal
CID 134427960
4-(fluoromethyl)-1-heptan-4-yltriazole
CID 131994332
1-butan-2-yl-4-ethyltriazole
CID 138568192
1-butan-2-yltriazol-4-amine
CID 79530660
3-(4-propan-2-yltriazol-1-yl)pentyl hydrogen sulfate
CID 123816295
4-[1-(1-methoxybutan-2-yl)triazol-4-yl]benzonitrile
CID 166267072

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pentan-3-yltriazole?
The IUPAC name of 4-methyl-1-pentan-3-yltriazole (CID 91565163) is 4-methyl-1-pentan-3-yltriazole.
What is the SMILES notation for 4-methyl-1-pentan-3-yltriazole?
The canonical SMILES for 4-methyl-1-pentan-3-yltriazole is CCC(CC)n1cc(C)nn1.
What is the InChIKey of 4-methyl-1-pentan-3-yltriazole?
The InChIKey is AKEHKLYSNIVFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-4-8(5-2)11-6-7(3)9-10-11/h6,8H,4-5H2,1-3H3.
What are the key properties of 4-methyl-1-pentan-3-yltriazole?
4-methyl-1-pentan-3-yltriazole has a molecular weight of 153.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pentan-3-yltriazole is sourced from PubChem (CID 91565163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).