5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]indole

C15H18N4 — CID 116623044

IUPAC5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]indole
SMILESCc1ccc2c(ccn2Cc2ncnn2C(C)C)c1
InChIInChI=1S/C15H18N4/c1-11(2)19-15(16-10-17-19)9-18-7-6-13-8-12(3)4-5-14(13)18/h4-8,10-11H,9H2,1-3H3
InChIKeyVUVRPZRPCAGYSB-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.17
Rot. Bonds3

About 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]indole

5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]indole (PubChem CID 116623044) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]indole.

Molecular Properties

Compound Name5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]indole
PubChem CID116623044
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]indole
SMILESCc1ccc2c(ccn2Cc2ncnn2C(C)C)c1
InChIInChI=1S/C15H18N4/c1-11(2)19-15(16-10-17-19)9-18-7-6-13-8-12(3)4-5-14(13)18/h4-8,10-11H,9H2,1-3H3
InChIKeyVUVRPZRPCAGYSB-UHFFFAOYSA-N
XLogP3.17
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]indole?
The IUPAC name of 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]indole (CID 116623044) is 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]indole.
What is the SMILES notation for 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]indole?
The canonical SMILES for 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]indole is Cc1ccc2c(ccn2Cc2ncnn2C(C)C)c1.
What is the InChIKey of 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]indole?
The InChIKey is VUVRPZRPCAGYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11(2)19-15(16-10-17-19)9-18-7-6-13-8-12(3)4-5-14(13)18/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]indole?
5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]indole has a molecular weight of 254.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]indole is sourced from PubChem (CID 116623044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).