N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

C14H26ClN5O — CID 120915580

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCCn1cnnc1CNC1CCCC1C1COCCN1.Cl
InChIInChI=1S/C14H25N5O.ClH/c1-2-19-10-17-18-14(19)8-16-12-5-3-4-11(12)13-9-20-7-6-15-13;/h10-13,15-16H,2-9H2,1H3;1H
InChIKeyHSJDAWUAYVEBNP-UHFFFAOYSA-N
MW315.85 g/mol
LogP0.97
Rot. Bonds5

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (PubChem CID 120915580) has the molecular formula C14H26ClN5O and a molecular weight of 315.85 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
PubChem CID120915580
Molecular FormulaC14H26ClN5O
Molecular Weight315.85 g/mol
Exact Mass315.18
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCCn1cnnc1CNC1CCCC1C1COCCN1.Cl
InChIInChI=1S/C14H25N5O.ClH/c1-2-19-10-17-18-14(19)8-16-12-5-3-4-11(12)13-9-20-7-6-15-13;/h10-13,15-16H,2-9H2,1H3;1H
InChIKeyHSJDAWUAYVEBNP-UHFFFAOYSA-N
XLogP0.97
TPSA64.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride with MolForge

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Related Compounds

N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915929
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914752
N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916408
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine
CID 115688865
N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915279
N-[(5-methylthiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915744
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915590
N-[(3-methylthiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120913878
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915656
N-(cyclopentylmethyl)-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915794
N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120913901
N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915014

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (CID 120915580) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is CCn1cnnc1CNC1CCCC1C1COCCN1.Cl.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The InChIKey is HSJDAWUAYVEBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O.ClH/c1-2-19-10-17-18-14(19)8-16-12-5-3-4-11(12)13-9-20-7-6-15-13;/h10-13,15-16H,2-9H2,1H3;1H.
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride has a molecular weight of 315.85 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120915580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).