[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine

C14H18N6 — CID 66416663

IUPAC[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
SMILESCC(C)n1ncnc1Cn1cc(CN)c2cccnc21
InChIInChI=1S/C14H18N6/c1-10(2)20-13(17-9-18-20)8-19-7-11(6-15)12-4-3-5-16-14(12)19/h3-5,7,9-10H,6,8,15H2,1-2H3
InChIKeyMCOBMXNIGKZSGT-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.72
Rot. Bonds4

About [1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine

[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine (PubChem CID 66416663) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is [1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
PubChem CID66416663
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
SMILESCC(C)n1ncnc1Cn1cc(CN)c2cccnc21
InChIInChI=1S/C14H18N6/c1-10(2)20-13(17-9-18-20)8-19-7-11(6-15)12-4-3-5-16-14(12)19/h3-5,7,9-10H,6,8,15H2,1-2H3
InChIKeyMCOBMXNIGKZSGT-UHFFFAOYSA-N
XLogP1.72
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The IUPAC name of [1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine (CID 66416663) is [1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine.
What is the SMILES notation for [1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The canonical SMILES for [1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine is CC(C)n1ncnc1Cn1cc(CN)c2cccnc21.
What is the InChIKey of [1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The InChIKey is MCOBMXNIGKZSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-10(2)20-13(17-9-18-20)8-19-7-11(6-15)12-4-3-5-16-14(12)19/h3-5,7,9-10H,6,8,15H2,1-2H3.
What are the key properties of [1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine?
[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine has a molecular weight of 270.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine is sourced from PubChem (CID 66416663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).