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

C16H26N6 — CID 18192720

IUPACN-[[1-(dimethylamino)cycloheptyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC2(N(C)C)CCCCCC2)n2ncnc2n1
InChIInChI=1S/C16H26N6/c1-13-10-14(22-15(20-13)18-12-19-22)17-11-16(21(2)3)8-6-4-5-7-9-16/h10,12,17H,4-9,11H2,1-3H3
InChIKeyYWAQYVIVYCFZOJ-UHFFFAOYSA-N
MW302.43 g/mol
LogP2.50
Rot. Bonds4

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

N-[[1-(dimethylamino)cycloheptyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 18192720) has the molecular formula C16H26N6 and a molecular weight of 302.43 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cycloheptyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cycloheptyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID18192720
Molecular FormulaC16H26N6
Molecular Weight302.43 g/mol
Exact Mass302.22
IUPAC NameN-[[1-(dimethylamino)cycloheptyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC2(N(C)C)CCCCCC2)n2ncnc2n1
InChIInChI=1S/C16H26N6/c1-13-10-14(22-15(20-13)18-12-19-22)17-11-16(21(2)3)8-6-4-5-7-9-16/h10,12,17H,4-9,11H2,1-3H3
InChIKeyYWAQYVIVYCFZOJ-UHFFFAOYSA-N
XLogP2.50
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(dimethylamino)cycloheptyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919080
N-[[1-(aminomethyl)cyclopentyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115366095
N-[(2,2-difluorocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 146130247
2-[1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutyl]acetic acid
CID 81161249
2-ethylsulfanyl-1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol
CID 133357835
N-[[3-(dimethylamino)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133279612
N-cyclobutyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53259071
5-methyl-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63226890
N-(5-chloropentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 107320766
N-(2,2-dimethylcyclopentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 79840007
N,N-dimethyl-1-(4-methylphenyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 138988417
1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclopentan-1-ol
CID 133271933

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 18192720) is N-[[1-(dimethylamino)cycloheptyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cycloheptyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[1-(dimethylamino)cycloheptyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCC2(N(C)C)CCCCCC2)n2ncnc2n1.
What is the InChIKey of N-[[1-(dimethylamino)cycloheptyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YWAQYVIVYCFZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6/c1-13-10-14(22-15(20-13)18-12-19-22)17-11-16(21(2)3)8-6-4-5-7-9-16/h10,12,17H,4-9,11H2,1-3H3.
What are the key properties of N-[[1-(dimethylamino)cycloheptyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[[1-(dimethylamino)cycloheptyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 302.43 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cycloheptyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 18192720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).