N-[(4-tert-butylcyclohexyl)methyl]-6-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C18H28ClN5 — CID 143015701

IUPACN-[(4-tert-butylcyclohexyl)methyl]-6-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nc2ncnn2c(NCC2CCC(C(C)(C)C)CC2)c1Cl
InChIInChI=1S/C18H28ClN5/c1-5-14-15(19)16(24-17(23-14)21-11-22-24)20-10-12-6-8-13(9-7-12)18(2,3)4/h11-13,20H,5-10H2,1-4H3
InChIKeyRVLWNQQQYJOIQA-UHFFFAOYSA-N
MW349.91 g/mol
LogP4.60
Rot. Bonds4

About N-[(4-tert-butylcyclohexyl)methyl]-6-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[(4-tert-butylcyclohexyl)methyl]-6-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143015701) has the molecular formula C18H28ClN5 and a molecular weight of 349.91 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexyl)methyl]-6-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexyl)methyl]-6-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID143015701
Molecular FormulaC18H28ClN5
Molecular Weight349.91 g/mol
Exact Mass349.20
IUPAC NameN-[(4-tert-butylcyclohexyl)methyl]-6-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nc2ncnn2c(NCC2CCC(C(C)(C)C)CC2)c1Cl
InChIInChI=1S/C18H28ClN5/c1-5-14-15(19)16(24-17(23-14)21-11-22-24)20-10-12-6-8-13(9-7-12)18(2,3)4/h11-13,20H,5-10H2,1-4H3
InChIKeyRVLWNQQQYJOIQA-UHFFFAOYSA-N
XLogP4.60
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-tert-butylcyclohexyl)methyl]-6-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

6-chloro-5-ethyl-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 58128403
5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076494
5-ethyl-6-methyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 143823904
N-(cyclohexylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3227275
5-chloro-N-(2-cyclopropylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076734
5-chloro-N-(2-cyclopentylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076296
3-[[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol
CID 103076747
5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918943
6-chloro-5-ethyl-N-[(1S)-1-[4-(1-fluoroethylamino)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 143823902
5-chloro-N-(2-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918495
N-(2-cyclopropylethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133324314
5-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076873

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-6-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-6-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 143015701) is N-[(4-tert-butylcyclohexyl)methyl]-6-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(4-tert-butylcyclohexyl)methyl]-6-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(4-tert-butylcyclohexyl)methyl]-6-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1nc2ncnn2c(NCC2CCC(C(C)(C)C)CC2)c1Cl.
What is the InChIKey of N-[(4-tert-butylcyclohexyl)methyl]-6-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RVLWNQQQYJOIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN5/c1-5-14-15(19)16(24-17(23-14)21-11-22-24)20-10-12-6-8-13(9-7-12)18(2,3)4/h11-13,20H,5-10H2,1-4H3.
What are the key properties of N-[(4-tert-butylcyclohexyl)methyl]-6-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(4-tert-butylcyclohexyl)methyl]-6-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 349.91 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexyl)methyl]-6-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143015701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).