trans-(1S,3S)-3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine

C10H17N5 — CID 171101029

IUPACtrans-(1S,3S)-3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine
SMILESCc1nnc(N[C@H]2CC[C@H](N)C2)nc1C
InChIInChI=1S/C10H17N5/c1-6-7(2)14-15-10(12-6)13-9-4-3-8(11)5-9/h8-9H,3-5,11H2,1-2H3,(H,12,13,15)/t8-,9-/m0/s1
InChIKeyVRXXKDYEHSUWRY-IUCAKERBSA-N
MW207.28 g/mol
LogP0.78
Rot. Bonds2

About trans-(1S,3S)-3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine

trans-(1S,3S)-3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine (PubChem CID 171101029) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is trans-(1S,3S)-3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine
PubChem CID171101029
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Nametrans-(1S,3S)-3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine
SMILESCc1nnc(N[C@H]2CC[C@H](N)C2)nc1C
InChIInChI=1S/C10H17N5/c1-6-7(2)14-15-10(12-6)13-9-4-3-8(11)5-9/h8-9H,3-5,11H2,1-2H3,(H,12,13,15)/t8-,9-/m0/s1
InChIKeyVRXXKDYEHSUWRY-IUCAKERBSA-N
XLogP0.78
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine?
The IUPAC name of trans-(1S,3S)-3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine (CID 171101029) is trans-(1S,3S)-3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine.
What is the SMILES notation for trans-(1S,3S)-3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine?
The canonical SMILES for trans-(1S,3S)-3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine is Cc1nnc(N[C@H]2CC[C@H](N)C2)nc1C.
What is the InChIKey of trans-(1S,3S)-3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine?
The InChIKey is VRXXKDYEHSUWRY-IUCAKERBSA-N. The full InChI is InChI=1S/C10H17N5/c1-6-7(2)14-15-10(12-6)13-9-4-3-8(11)5-9/h8-9H,3-5,11H2,1-2H3,(H,12,13,15)/t8-,9-/m0/s1.
What are the key properties of trans-(1S,3S)-3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine?
trans-(1S,3S)-3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine has a molecular weight of 207.28 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine is sourced from PubChem (CID 171101029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).