[5-(1-adamantylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine

C17H26N4 — CID 115944058

IUPAC[5-(1-adamantylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine
SMILESNCc1nnc(CC23CC4CC(CC(C4)C2)C3)n1C1CC1
InChIInChI=1S/C17H26N4/c18-10-16-20-19-15(21(16)14-1-2-14)9-17-6-11-3-12(7-17)5-13(4-11)8-17/h11-14H,1-10,18H2
InChIKeyLHPNSFOHIFOBBY-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.83
Rot. Bonds4

About [5-(1-adamantylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine

[5-(1-adamantylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 115944058) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is [5-(1-adamantylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(1-adamantylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine
PubChem CID115944058
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name[5-(1-adamantylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine
SMILESNCc1nnc(CC23CC4CC(CC(C4)C2)C3)n1C1CC1
InChIInChI=1S/C17H26N4/c18-10-16-20-19-15(21(16)14-1-2-14)9-17-6-11-3-12(7-17)5-13(4-11)8-17/h11-14H,1-10,18H2
InChIKeyLHPNSFOHIFOBBY-UHFFFAOYSA-N
XLogP2.83
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(1-adamantylmethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 79987304
[4-cyclopropyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methanamine
CID 112593153
[4-cyclopropyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methanamine
CID 114877746
[5-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine
CID 112593193
(4-cyclopropyl-5-nonyl-1,2,4-triazol-3-yl)methanamine
CID 112593130
[5-(1-adamantylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 63315646
3-(1-adamantylmethyl)-5-(bromomethyl)-4-ethyl-1,2,4-triazole
CID 115399504
3-(1-adamantylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 59656128
(5-cycloheptyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanamine
CID 112593244
3-(1-adamantylmethyl)-5-(chloromethyl)-4-propan-2-yl-1,2,4-triazole
CID 115397576
[5-[(4-bromophenyl)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine
CID 112593269
[5-(4-tert-butylphenyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine
CID 115944033

Frequently Asked Questions

What is the IUPAC name of [5-(1-adamantylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(1-adamantylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine (CID 115944058) is [5-(1-adamantylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(1-adamantylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(1-adamantylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine is NCc1nnc(CC23CC4CC(CC(C4)C2)C3)n1C1CC1.
What is the InChIKey of [5-(1-adamantylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is LHPNSFOHIFOBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c18-10-16-20-19-15(21(16)14-1-2-14)9-17-6-11-3-12(7-17)5-13(4-11)8-17/h11-14H,1-10,18H2.
What are the key properties of [5-(1-adamantylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine?
[5-(1-adamantylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 286.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-adamantylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 115944058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).