5-(cyclopenta-2,4-dien-1-ylmethyl)quinazoline-2,4,6-triamine

C14H15N5 — CID 87410401

IUPAC5-(cyclopenta-2,4-dien-1-ylmethyl)quinazoline-2,4,6-triamine
SMILESNc1nc(N)c2c(CC3C=CC=C3)c(N)ccc2n1
InChIInChI=1S/C14H15N5/c15-10-5-6-11-12(13(16)19-14(17)18-11)9(10)7-8-3-1-2-4-8/h1-6,8H,7,15H2,(H4,16,17,18,19)
InChIKeyVGOLNHXGZMHVII-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.66
Rot. Bonds2

About 5-(cyclopenta-2,4-dien-1-ylmethyl)quinazoline-2,4,6-triamine

5-(cyclopenta-2,4-dien-1-ylmethyl)quinazoline-2,4,6-triamine (PubChem CID 87410401) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-(cyclopenta-2,4-dien-1-ylmethyl)quinazoline-2,4,6-triamine.

Molecular Properties

Compound Name5-(cyclopenta-2,4-dien-1-ylmethyl)quinazoline-2,4,6-triamine
PubChem CID87410401
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name5-(cyclopenta-2,4-dien-1-ylmethyl)quinazoline-2,4,6-triamine
SMILESNc1nc(N)c2c(CC3C=CC=C3)c(N)ccc2n1
InChIInChI=1S/C14H15N5/c15-10-5-6-11-12(13(16)19-14(17)18-11)9(10)7-8-3-1-2-4-8/h1-6,8H,7,15H2,(H4,16,17,18,19)
InChIKeyVGOLNHXGZMHVII-UHFFFAOYSA-N
XLogP1.66
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopenta-2,4-dien-1-ylmethyl)quinazoline-2,4,6-triamine?
The IUPAC name of 5-(cyclopenta-2,4-dien-1-ylmethyl)quinazoline-2,4,6-triamine (CID 87410401) is 5-(cyclopenta-2,4-dien-1-ylmethyl)quinazoline-2,4,6-triamine.
What is the SMILES notation for 5-(cyclopenta-2,4-dien-1-ylmethyl)quinazoline-2,4,6-triamine?
The canonical SMILES for 5-(cyclopenta-2,4-dien-1-ylmethyl)quinazoline-2,4,6-triamine is Nc1nc(N)c2c(CC3C=CC=C3)c(N)ccc2n1.
What is the InChIKey of 5-(cyclopenta-2,4-dien-1-ylmethyl)quinazoline-2,4,6-triamine?
The InChIKey is VGOLNHXGZMHVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c15-10-5-6-11-12(13(16)19-14(17)18-11)9(10)7-8-3-1-2-4-8/h1-6,8H,7,15H2,(H4,16,17,18,19).
What are the key properties of 5-(cyclopenta-2,4-dien-1-ylmethyl)quinazoline-2,4,6-triamine?
5-(cyclopenta-2,4-dien-1-ylmethyl)quinazoline-2,4,6-triamine has a molecular weight of 253.31 g/mol, XLogP of 1.66, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopenta-2,4-dien-1-ylmethyl)quinazoline-2,4,6-triamine is sourced from PubChem (CID 87410401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).