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

C13H20N6 — CID 115366095

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC2(CN)CCCC2)n2ncnc2n1
InChIInChI=1S/C13H20N6/c1-10-6-11(19-12(18-10)16-9-17-19)15-8-13(7-14)4-2-3-5-13/h6,9,15H,2-5,7-8,14H2,1H3
InChIKeyNBVPNFTWDMQFLJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.36
Rot. Bonds4

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

N-[[1-(aminomethyl)cyclopentyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 115366095) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID115366095
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC2(CN)CCCC2)n2ncnc2n1
InChIInChI=1S/C13H20N6/c1-10-6-11(19-12(18-10)16-9-17-19)15-8-13(7-14)4-2-3-5-13/h6,9,15H,2-5,7-8,14H2,1H3
InChIKeyNBVPNFTWDMQFLJ-UHFFFAOYSA-N
XLogP1.36
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutyl]acetic acid
CID 81161249
N-[[1-(dimethylamino)cycloheptyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18192720
N-[(2,2-difluorocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 146130247
2-ethylsulfanyl-1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol
CID 133357835
N-[[1-(aminomethyl)cyclohexyl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 103970489
5-methyl-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63226890
[1-[[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclopropyl]methanol
CID 102919048
ethyl 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate
CID 60810672
N-[(3-aminocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106128208
1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclopentan-1-ol
CID 133271933
5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919080
N-cyclobutyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53259071

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 115366095) is N-[[1-(aminomethyl)cyclopentyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCC2(CN)CCCC2)n2ncnc2n1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NBVPNFTWDMQFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-10-6-11(19-12(18-10)16-9-17-19)15-8-13(7-14)4-2-3-5-13/h6,9,15H,2-5,7-8,14H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[[1-(aminomethyl)cyclopentyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 260.34 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 115366095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).