N,N-diethyl-5-methyl-2-[(N-propylanilino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C20H28N6 — CID 12851659

IUPACN,N-diethyl-5-methyl-2-[(N-propylanilino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCN(Cc1nc2nc(C)cc(N(CC)CC)n2n1)c1ccccc1
InChIInChI=1S/C20H28N6/c1-5-13-25(17-11-9-8-10-12-17)15-18-22-20-21-16(4)14-19(26(20)23-18)24(6-2)7-3/h8-12,14H,5-7,13,15H2,1-4H3
InChIKeyBAIZDYOFJDCQNW-UHFFFAOYSA-N
MW352.49 g/mol
LogP3.70
Rot. Bonds8

About N,N-diethyl-5-methyl-2-[(N-propylanilino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N,N-diethyl-5-methyl-2-[(N-propylanilino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 12851659) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is N,N-diethyl-5-methyl-2-[(N-propylanilino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN,N-diethyl-5-methyl-2-[(N-propylanilino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID12851659
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC NameN,N-diethyl-5-methyl-2-[(N-propylanilino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCN(Cc1nc2nc(C)cc(N(CC)CC)n2n1)c1ccccc1
InChIInChI=1S/C20H28N6/c1-5-13-25(17-11-9-8-10-12-17)15-18-22-20-21-16(4)14-19(26(20)23-18)24(6-2)7-3/h8-12,14H,5-7,13,15H2,1-4H3
InChIKeyBAIZDYOFJDCQNW-UHFFFAOYSA-N
XLogP3.70
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-methyl-2-[(N-propylanilino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N,N-diethyl-5-methyl-2-[(N-propylanilino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 12851659) is N,N-diethyl-5-methyl-2-[(N-propylanilino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N,N-diethyl-5-methyl-2-[(N-propylanilino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N,N-diethyl-5-methyl-2-[(N-propylanilino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCN(Cc1nc2nc(C)cc(N(CC)CC)n2n1)c1ccccc1.
What is the InChIKey of N,N-diethyl-5-methyl-2-[(N-propylanilino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BAIZDYOFJDCQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-5-13-25(17-11-9-8-10-12-17)15-18-22-20-21-16(4)14-19(26(20)23-18)24(6-2)7-3/h8-12,14H,5-7,13,15H2,1-4H3.
What are the key properties of N,N-diethyl-5-methyl-2-[(N-propylanilino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N,N-diethyl-5-methyl-2-[(N-propylanilino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 352.49 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-methyl-2-[(N-propylanilino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 12851659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).